%chk=000176573.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000176573

0 1
 O   -3.050000       1.956600     -0.7543000    
 O   -2.799500      -3.726400      1.0600000E-02
 O   -4.448500      0.5249000      0.3231000    
 O   -4.406800      -2.124600     -0.1212000    
 N  -0.1139000     -0.8308000      0.1135000    
 N  -0.8532000      -1.953000      9.2699997E-02
 C  -0.8482000      0.3195000      4.3099999E-02
 C    1.276000     -0.9265000      0.2028000    
 C   -2.161900     -8.4799998E-02 -2.8800000E-02
 C  -0.2796000       1.645300      5.0200000E-02
 C    3.422100      -1.093500     -0.8691000    
 C    2.033400     -0.9985000     -0.9587000    
 C   -2.103300      -1.490900      5.5000000E-03
 C    4.040500      -1.115600      0.3811000    
 C    1.881500     -0.9478000       1.452000    
 C    3.270300      -1.042800       1.541600    
 C  -7.8900002E-02   2.311000       1.259400    
 C   6.8800002E-02   2.261900      -1.151700    
 C    4.226600      -1.169400      -2.125100    
 C    5.525700      -1.216000      0.5024000    
 C   -3.307700      0.7726000     -0.1166000    
 C   -3.198800      -2.418700     -4.1099999E-02
 C   0.4698000       3.593300       1.267000    
 C   0.6176000       3.544300      -1.144000    
 C   0.8181000       4.209900      6.5399997E-02
 H    1.546700     -0.9806000      -1.931200    
 H    1.292100     -0.8915000       2.363600    
 H    3.735700      -1.058300       2.523600    
 H  -0.3452000       1.844300       2.204800    
 H  -8.0799997E-02   1.756400      -2.102800    
 H    3.590700      -1.140300      -3.016900    
 H    4.916100     -0.3218000      -2.193100    
 H    4.793800      -2.104900      -2.163900    
 H    6.010600     -0.3609000      2.0600000E-02
 H    5.847800      -1.221900       1.549600    
 H    5.887900      -2.144000      4.8300002E-02
 H   0.6261000       4.111600       2.208600    
 H   0.8891000       4.024400      -2.079500    
 H    1.245500       5.208300      7.1300000E-02
 H   -3.848000       2.525200     -0.7998000    
 H   -3.563900      -4.340500     -2.3100000E-02


%chk=000176573-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000176573

0 1
O -3.381190 1.585272 -1.382150
O -3.177323 -3.463997 1.207619
O -4.436464 0.694224 0.483028
O -4.422893 -2.280382 -0.360237
N -0.138746 -0.836480 0.229999
N -0.947318 -1.941727 0.477344
C -0.872716 0.302102 -0.137989
C 1.288802 -1.020960 0.325475
C -2.226231 -0.108228 -0.132763
C -0.261392 1.643270 -0.291475
C 3.559813 -0.608632 -0.513745
C 2.163102 -0.409539 -0.600974
C -2.215770 -1.488365 0.264713
C 4.086332 -1.451373 0.514125
C 1.794374 -1.866562 1.335547
C 3.186528 -2.070712 1.416457
C 0.558824 2.168665 0.745060
C -0.487407 2.422265 -1.456284
C 4.481681 0.060029 -1.516912
C 5.579806 -1.689945 0.634308
C -3.441658 0.721189 -0.274537
C -3.376437 -2.406344 0.316201
C 1.143552 3.445210 0.615086
C 0.105262 3.697405 -1.584852
C 0.922270 4.213189 -0.552605
H 1.759792 0.218475 -1.400827
H 1.103288 -2.359902 2.023947
H 3.583694 -2.726493 2.199690
H 0.727769 1.580687 1.653778
H -1.130035 2.027668 -2.247405
H 3.915235 0.676024 -2.234959
H 5.216808 0.717796 -1.014611
H 5.063789 -0.684686 -2.093111
H 6.132293 -0.744053 0.794645
H 5.810474 -2.363009 1.476998
H 5.993734 -2.145705 -0.285843
H 1.766568 3.841119 1.424291
H -0.073699 4.287734 -2.490138
H 1.378403 5.204291 -0.653649
H -4.216309 2.128542 -1.398448
H -3.972302 -4.062563 1.165102


