%chk=000113502.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000113502

0 1
 O    11.81870       1.580300      0.9913000    
 O   -11.84700       1.555800     -0.9294000    
 N    9.083100      5.4499999E-02 -0.4660000    
 N   -9.079000      6.4599998E-02  0.4929000    
 N    5.404300     -2.6000001E-02 -0.9020000    
 N   -5.384300      2.4000001E-03  0.8535000    
 N    1.844300      2.4000001E-03  0.1803000    
 N   -1.849600     -1.5200000E-02 -0.2674000    
 N    10.93270     -0.5499000      0.6657000    
 N   -10.94720     -0.5656000     -0.5848000    
 N    9.422000      -2.253100     -5.8800001E-02
 N   -9.415500      -2.251100      0.1371000    
 C    7.836100     -2.6400000E-02  -1.180200    
 C   -7.812700      1.9999999E-04   1.183000    
 C    6.676900      2.7100001E-02 -0.1934000    
 C   -6.675500      3.9000001E-02  0.1702000    
 C    4.287400      1.4200000E-02  3.1500001E-02
 C   -4.289400      1.0500000E-02 -8.7399997E-02
 C    2.974300     -9.7000003E-03 -0.7403000    
 C   -2.966200      4.6000001E-03  0.6672000    
 C   0.5820000     -1.0100000E-02 -0.5460000    
 C  -0.5767000     -3.0300001E-02  0.4425000    
 C    9.724600       1.323100     -0.2062000    
 C   -9.726400       1.326300      0.2263000    
 C    9.838700     -0.9608000      6.5800004E-02
 C   -9.839000     -0.9624000     -1.7000000E-03
 C    10.95250      0.8348000      0.5525000    
 C   -10.96910      0.8208000     -0.4964000    
 H    7.790800     -0.9371000      -1.788700    
 H    7.764600      0.8115000      -1.885700    
 H   -7.752100     -0.8993000       1.806700    
 H   -7.729500      0.8513000       1.871200    
 H    6.753200     -0.8167000      0.5037000    
 H    6.740300      0.9476000      0.4005000    
 H   -6.763300     -0.8180000     -0.5091000    
 H   -6.752900      0.9484000     -0.4390000    
 H    4.335600      0.9223000      0.6460000    
 H    4.334100     -0.8510000      0.7045000    
 H   -4.341400      0.8994000     -0.7291000    
 H   -4.342800     -0.8730000     -0.7361000    
 H    2.924100      0.8652000      -1.401000    
 H    2.935000     -0.9075000      -1.370400    
 H   -2.903500      0.8931000       1.308700    
 H   -2.922000     -0.8797000       1.315700    
 H   0.5092000      0.8825000      -1.180000    
 H   0.5245000     -0.8917000      -1.197000    
 H  -0.5108000     -0.9309000       1.066000    
 H  -0.5060000      0.8418000       1.105400    
 H    5.340500      0.7566000      -1.552600    
 H   -5.310300      0.7986000       1.486300    
 H    1.896100     -0.8067000      0.7988000    
 H   -1.896000      0.8013000     -0.8766000    
 H    9.118600       1.967400      0.4352000    
 H    10.02790       1.824700      -1.128300    
 H   -9.136700       1.960500     -0.4399000    
 H   -10.01120       1.843600       1.145700    
 H    8.547700      -2.501100     -0.5069000    
 H    9.969100      -3.015200      0.3269000    
 H   -8.530700      -2.488500      0.5702000    
 H   -9.968500      -3.021700     -0.2227000    


%chk=000113502-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000113502

0 1
O 12.429166 0.814788 0.899200
O -12.476431 0.674831 -0.847676
N 9.303080 -0.140076 -0.551075
N -9.289561 -0.155266 0.545859
N 5.536814 0.231635 -0.792533
N -5.540295 0.372743 0.750209
N 1.875805 0.163472 0.166502
N -1.882363 0.421547 -0.196067
N 11.077904 -1.135972 0.574262
N -11.047109 -1.222473 -0.540421
N 9.251511 -2.507498 -0.093998
N -9.159732 -2.522097 0.101153
C 7.972978 -0.010135 -1.149088
C -7.959010 0.026045 1.129514
C 6.841436 0.181301 -0.106286
C -6.844337 0.248297 0.074481
C 4.354413 0.220013 0.100286
C -4.358440 0.355350 -0.139132
C 3.054507 0.164716 -0.724831
C -3.061494 0.389459 0.690302
C 0.570933 0.237486 -0.526222
C -0.577585 0.343316 0.495025
C 10.224516 0.973471 -0.267644
C -10.257697 0.921316 0.276285
C 9.871137 -1.289382 -0.019121
C -9.824510 -1.327928 0.031024
C 11.397243 0.237474 0.475752
C -11.414687 0.138839 -0.443902
H 7.736741 -0.896391 -1.770194
H 7.990367 0.852403 -1.842315
H -7.685882 -0.845263 1.756542
H -7.999882 0.894025 1.814900
H 6.835111 -0.682292 0.586712
H 7.064483 1.084661 0.513412
H -6.801703 -0.627367 -0.601531
H -7.113517 1.127472 -0.561742
H 4.302669 1.098365 0.785488
H 4.424387 -0.683990 0.739619
H -4.351882 1.205540 -0.869438
H -4.375374 -0.575557 -0.734946
H 2.989897 1.068491 -1.365876
H 3.104347 -0.714252 -1.412054
H -3.102089 1.257576 1.401206
H -3.013046 -0.524298 1.311245
H 0.579794 1.145536 -1.164340
H 0.367426 -0.628829 -1.200300
H -0.588102 -0.566155 1.130704
H -0.372669 1.207566 1.171626
H 5.490466 1.020195 -1.454629
H -5.516461 1.182165 1.387340
H 1.903690 -0.633518 0.819273
H -1.917360 1.224922 -0.840256
H 9.778046 1.742141 0.389700
H 10.596389 1.455814 -1.189878
H -9.852784 1.704457 -0.390784
H -10.630992 1.391957 1.204057
H 8.358334 -2.649289 -0.556345
H 9.751769 -3.300926 0.298871
H -8.250083 -2.627499 0.540546
H -9.636680 -3.335232 -0.280268


