%chk=000297861.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000297861

0 1
O 3.672026 -0.072745 2.176055
O -2.593468 1.140511 0.801422
O 1.429428 -0.860356 -2.187873
O 0.093763 -1.998491 1.230324
O 0.482422 0.123446 1.847618
O 2.323686 2.882129 0.155561
O -1.943389 2.227110 -1.114403
N 2.424595 0.041283 -0.333140
N 0.918029 2.370071 -1.571508
N -0.927855 2.659437 0.948092
C 2.178004 -1.122198 0.525834
C 3.327821 -1.300479 1.543117
C 1.917223 1.519836 -2.241310
C 1.892317 0.112507 -1.621217
C 0.857722 -0.875894 1.275883
C 0.028651 3.622739 0.375773
C 1.203845 2.931140 -0.329615
C -2.894699 -0.955070 -0.346728
C -3.553909 0.339559 0.030703
C -3.244213 -2.144667 0.307345
C -1.919605 -0.971039 -1.355083
C -1.814467 2.017268 0.082627
C -2.625762 -3.345156 -0.055592
C -1.288849 -2.168769 -1.698811
C -1.646972 -3.358199 -1.054762
H 2.065474 -2.054371 -0.107085
H 2.852992 0.865865 0.131958
H 3.073303 -2.063079 2.302337
H 4.269704 -1.584273 1.027141
H 1.680680 1.441740 -3.328620
H 2.935721 1.974480 -2.160816
H -0.045256 2.335972 -1.938250
H -0.498461 4.319831 -0.321619
H 0.437017 4.251101 1.207218
H -3.900179 0.917337 -0.849079
H -4.374016 0.232636 0.765364
H -0.644599 2.177221 1.811559
H -4.002077 -2.140453 1.088442
H -1.654034 -0.044987 -1.870815
H 2.896482 0.312106 2.651715
H -2.908088 -4.272174 0.440952
H -0.501369 -2.165771 -2.459253
H -1.159301 -4.292558 -1.328868
H -0.836834 -1.873695 1.583707


%chk=000297861-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000297861

0 1
O 3.619351 0.148996 2.255123
O -2.572067 1.145861 0.764257
O 1.364913 -0.795403 -2.181922
O 0.213586 -2.120410 1.053770
O 0.608010 0.004913 1.912210
O 2.481958 2.913283 0.267048
O -1.884677 2.401257 -1.116769
N 2.527501 0.084998 -0.353109
N 1.005355 2.457139 -1.481033
N -0.819370 2.583063 0.962789
C 2.333614 -1.085476 0.507263
C 3.455544 -1.136182 1.578961
C 1.971348 1.603245 -2.199417
C 1.943001 0.175039 -1.603110
C 0.973327 -0.985182 1.222594
C 0.126201 3.615012 0.504946
C 1.318438 2.990513 -0.249874
C -3.000254 -0.987086 -0.427952
C -3.545901 0.383248 -0.095318
C -3.372767 -2.118498 0.344711
C -2.097900 -1.156897 -1.510093
C -1.760540 2.069789 0.104774
C -2.861000 -3.399973 0.031140
C -1.572395 -2.431431 -1.813766
C -1.962170 -3.556774 -1.051094
H 2.332521 -2.000671 -0.106035
H 2.920967 0.937865 0.082480
H 3.245083 -1.955439 2.297587
H 4.420968 -1.329503 1.084438
H 1.688456 1.541640 -3.260580
H 2.975769 2.051036 -2.103898
H 0.013966 2.470780 -1.772204
H -0.417535 4.325117 -0.141517
H 0.526532 4.150268 1.378955
H -3.737211 0.986686 -0.999003
H -4.449206 0.328440 0.532097
H -0.613901 2.048771 1.811674
H -4.075822 -1.997880 1.178511
H -1.794877 -0.287348 -2.104037
H 2.736809 0.454022 2.599480
H -3.168120 -4.271149 0.620840
H -0.848967 -2.534334 -2.627495
H -1.557604 -4.546793 -1.288000
H -0.707430 -2.023650 1.426877


