%chk=000182523.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000182523

0 1
O 0.916015 1.106251 -0.661910
O 1.338996 3.945896 0.071471
O 4.749633 -2.696651 -2.004942
O -4.849179 0.769186 0.476214
O -2.489910 -0.545173 0.439173
N 3.760454 -2.271446 0.723931
N -2.082671 2.559675 0.156705
C 2.407747 -0.584130 -0.092633
C 2.193372 -0.674598 1.332456
C 3.378954 -1.574163 -0.433691
C 3.044766 -1.729164 1.815417
C 1.883362 0.239194 -1.117254
C 0.159978 3.342982 -0.467441
C 0.559598 2.256345 -1.484694
C -0.711611 2.808662 0.688573
C 3.806772 -1.712956 -1.780315
C 1.380519 0.028366 2.229347
C 2.308941 0.093223 -2.431441
C 3.077405 -2.079617 3.174617
C 3.277263 -0.885768 -2.758526
C -3.055386 2.252690 1.251216
C 1.417689 -0.322289 3.573387
C 2.255396 -1.362741 4.036005
C -4.465241 2.162267 0.656359
C -4.413300 0.181169 -0.703395
C -3.206071 -0.572184 -0.733225
C -5.228969 0.241172 -1.832077
C -2.839713 -1.252408 -1.898280
C -4.856733 -0.447844 -2.994855
C -3.673366 -1.184750 -3.022900
C -1.221462 -1.248575 0.467331
H 4.437768 -3.011277 0.753435
H -0.337457 4.198056 -0.988751
H 1.417912 2.583807 -2.095650
H -0.280372 1.943093 -2.126989
H -0.755201 3.589559 1.481015
H -0.232515 1.907354 1.150166
H 0.735736 0.834902 1.855666
H 1.908577 0.714800 -3.226379
H 3.720066 -2.876152 3.535283
H 3.596986 -0.978885 -3.794132
H -2.049138 1.749375 -0.480550
H -3.018481 3.065428 2.007368
H -2.829607 1.293861 1.779285
H 0.795746 0.209343 4.291460
H 2.252768 -1.604084 5.099431
H -5.235094 2.493422 1.378016
H -4.571913 2.714495 -0.292245
H 1.899302 3.274153 0.519855
H 5.012093 -2.729647 -2.957228
H -6.154220 0.814410 -1.792432
H -1.923476 -1.833988 -1.942129
H -5.497606 -0.405486 -3.872547
H -3.387051 -1.719098 -3.928298
H -0.945731 -1.168516 1.527594
H -0.494691 -0.725479 -0.167250
H -1.344448 -2.295370 0.180584


%chk=000182523-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000182523

0 1
O 1.301164 1.590999 -0.022781
O 1.162576 4.279637 0.910205
O 3.945995 -2.866944 -2.347118
O -4.477352 0.955990 -0.033783
O -2.314227 -0.653997 0.054901
N 3.735058 -2.386119 0.523289
N -2.127974 2.470064 0.356723
C 2.539788 -0.453845 0.139466
C 2.678032 -0.627220 1.579033
C 3.202911 -1.561670 -0.473162
C 3.430718 -1.841046 1.781442
C 1.923798 0.524619 -0.689024
C 0.069963 3.650206 0.149279
C 0.616401 2.618701 -0.841560
C -0.997570 3.049271 1.103654
C 3.259682 -1.724512 -1.874449
C 2.240679 0.112028 2.705725
C 1.968109 0.365296 -2.090810
C 3.752612 -2.315254 3.070414
C 2.632776 -0.753807 -2.674713
C -3.454156 3.078606 0.539480
C 2.559250 -0.359262 3.996975
C 3.307202 -1.557446 4.175300
C -4.456450 2.400536 -0.400553
C -4.325434 0.017672 -1.069984
C -3.210471 -0.874079 -1.002113
C -5.250936 -0.096586 -2.127673
C -3.063830 -1.883186 -1.983132
C -5.093592 -1.098079 -3.114838
C -4.005290 -1.992174 -3.034140
C -1.150769 -1.546174 0.156093
H 4.262924 -3.235877 0.338184
H -0.386216 4.472660 -0.430044
H 1.348903 3.086951 -1.527271
H -0.218035 2.161311 -1.406292
H -1.329529 3.859458 1.782151
H -0.504762 2.282330 1.735250
H 1.664618 1.031950 2.568707
H 1.495471 1.095587 -2.751881
H 4.326851 -3.236700 3.215495
H 2.651734 -0.848112 -3.767877
H -2.182186 1.443084 0.418832
H -3.416638 4.158245 0.288078
H -3.837441 2.998274 1.585934
H 2.228060 0.202375 4.877090
H 3.541586 -1.899348 5.189664
H -5.473702 2.813699 -0.263740
H -4.136108 2.509296 -1.454022
H 1.736682 3.549354 1.260621
H 3.965081 -2.883602 -3.334715
H -6.104098 0.590473 -2.158186
H -2.217074 -2.574997 -1.944329
H -5.821169 -1.182530 -3.928714
H -3.879857 -2.776757 -3.788245
H -0.591685 -1.192464 1.034242
H -0.508187 -1.472031 -0.741786
H -1.470685 -2.594155 0.309908


