%chk=000057894.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000057894

0 1
 O    5.705300      -2.584200     -0.5753000    
 O    2.632200       2.521700       1.937000    
 O   0.9732000       1.406000     -3.8400002E-02
 O   0.2061000       1.937400      -2.142700    
 N    3.931700     -0.5294000      0.2812000    
 N   -4.906700     -0.7022000      0.7411000    
 C    3.323600      0.3118000       1.309900    
 C    3.640100      -1.948400      0.5279000    
 C    5.384600     -0.3165000      0.2247000    
 C    3.174400       1.764300      0.8513000    
 C    4.295000      -2.807100     -0.5503000    
 C    5.997700      -1.213100     -0.8472000    
 C    2.260000       1.923900     -0.3612000    
 C   3.8400002E-02   1.476200      -1.024400    
 C   -1.253400      0.9080000     -0.5632000    
 C   -6.070400     -0.7602000     -8.8299997E-02
 C   -3.680200     -0.1608000      0.3033000    
 C   -7.253100      -1.340100      0.6804000    
 C   -2.351300      0.8830000      -1.423300    
 C   -1.369000      0.3983000      0.7301000    
 C   -3.564700      0.3488000     -0.9901000    
 C   -2.582400     -0.1360000       1.163400    
 C   -8.531100      -1.381600     -0.1458000    
 H    2.324300     -6.3600004E-02   1.570400    
 H    3.888300      0.2659000       2.251400    
 H    2.558400      -2.125000      0.5091000    
 H    4.017700      -2.247400       1.514300    
 H    5.842700     -0.5489000       1.195100    
 H    5.625600      0.7218000     -2.3700001E-02
 H    4.147700       2.209000      0.6201000    
 H    3.874200      -2.601500      -1.542100    
 H    4.129500      -3.867400     -0.3338000    
 H    7.086600      -1.099900     -0.8498000    
 H    5.634800     -0.9526000      -1.848900    
 H    2.154400       2.989500     -0.5974000    
 H    2.667900       1.400600      -1.233300    
 H    3.253800       2.453100       2.681600    
 H   -6.343300      0.2448000     -0.4328000    
 H   -5.880700      -1.384300     -0.9700000    
 H   -7.011900      -2.355500       1.018400    
 H   -7.434200     -0.7455000       1.584600    
 H   -4.942600      -1.069200       1.685800    
 H   -2.281100       1.274500      -2.434700    
 H  -0.5404000      0.3970000       1.432500    
 H   -4.392500      0.3473000      -1.692700    
 H   -2.659800     -0.5304000       2.173400    
 H   -8.398300      -1.999600      -1.039500    
 H   -9.350300      -1.805400      0.4433000    
 H   -8.824200     -0.3759000     -0.4632000    


%chk=000057894-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000057894

0 1
O 4.815538 -2.561392 -1.385791
O 3.083692 2.646354 2.360199
O 1.100496 1.905740 0.303043
O 0.983570 0.851127 -1.791067
N 3.766146 -0.459091 0.294001
N -4.906597 -0.264020 0.765716
C 3.311553 0.337003 1.447413
C 2.955730 -1.662855 -0.007877
C 5.214245 -0.765978 0.282366
C 3.420150 1.855477 1.162824
C 3.377318 -2.227656 -1.373598
C 5.606872 -1.359301 -1.083334
C 2.498420 2.318642 0.035030
C 0.439688 1.165480 -0.698145
C -0.938011 0.814546 -0.292394
C -5.828705 -1.033635 -0.077893
C -3.612263 0.081665 0.405306
C -7.181115 -1.238191 0.633104
C -1.745131 0.066665 -1.191077
C -1.487927 1.196114 0.964955
C -3.057997 -0.298572 -0.857962
C -2.796988 0.838025 1.308367
C -8.173556 -2.043032 -0.231386
H 2.253374 0.108330 1.666399
H 3.893863 0.102697 2.375404
H 1.889470 -1.377511 -0.051412
H 3.079110 -2.455038 0.772487
H 5.485234 -1.494394 1.089094
H 5.792548 0.161749 0.456007
H 4.459377 2.091561 0.836585
H 3.154146 -1.477385 -2.160734
H 2.856417 -3.173363 -1.596289
H 6.659390 -1.689132 -1.087635
H 5.448104 -0.595591 -1.875105
H 2.498382 3.420645 -0.015514
H 2.826248 1.876013 -0.920812
H 3.608208 2.302583 3.128050
H -5.995929 -0.507845 -1.042518
H -5.388021 -2.024097 -0.322175
H -7.011334 -1.764369 1.594049
H -7.617222 -0.248561 0.877315
H -5.247289 0.040319 1.678015
H -1.317055 -0.218561 -2.158287
H -0.871315 1.776605 1.657037
H -3.656158 -0.873797 -1.570672
H -3.209226 1.138863 2.280073
H -7.775021 -3.047647 -0.465352
H -9.137295 -2.176003 0.290989
H -8.376534 -1.527986 -1.188600


