%chk=000212092.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000212092

0 1
O 2.043903 2.567242 -0.621542
O 3.411132 -1.140505 1.730744
N -4.494241 0.358627 -0.355150
N 0.897062 0.604549 -0.982303
N 2.753154 0.721130 0.581436
C -5.933673 0.036454 1.625333
C -4.610973 -0.714680 1.864508
C -5.906706 0.474247 0.144097
C -3.861724 -0.690046 0.513869
C -3.780220 1.680662 -0.266116
C 0.690464 -0.760784 -0.682758
C 3.860772 1.525524 1.196783
C 1.559296 -1.393678 0.235212
C 1.915104 1.388315 -0.345852
C -0.037306 1.347081 -1.892008
C -2.457316 1.567166 -0.837206
C 2.639884 -0.669906 0.919338
C 5.090129 1.554570 0.277008
C -0.344157 -1.511272 -1.294791
C -1.356367 1.466465 -1.320912
C 1.395720 -2.767468 0.516849
C -0.481624 -2.859263 -0.999198
C 6.225546 2.342279 0.921979
C 0.388007 -3.497179 -0.093979
H -6.805165 -0.605152 1.832809
H -6.021958 0.906191 2.296625
H -4.017214 -0.229303 2.656591
H -4.788387 -1.748850 2.200538
H -6.512731 -0.216967 -0.481587
H -6.324604 1.485172 -0.002412
H -2.775054 -0.530516 0.639023
H -3.984215 -1.655039 -0.023077
H -4.373395 2.427000 -0.855023
H -3.710754 2.075587 0.778095
H 4.113747 1.063171 2.179902
H 3.486751 2.557052 1.387750
H -0.069216 0.817754 -2.877844
H 0.395978 2.370834 -2.085246
H 5.422778 0.520320 0.056495
H 4.819763 2.007566 -0.698746
H -1.040638 -1.036583 -1.985888
H 2.083245 -3.237969 1.228615
H 6.540716 1.897071 1.873337
H 7.105509 2.367314 0.267923
H 5.938589 3.381975 1.119785
H -1.277704 -3.437061 -1.474119
H 0.264092 -4.556199 0.121609


%chk=000212092-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000212092

0 1
O 2.040629 2.616546 -0.527569
O 3.688337 -1.215092 1.591616
N -4.705584 0.338077 -0.397430
N 0.915451 0.592337 -0.883589
N 2.837991 0.700593 0.554834
C -6.040482 0.284105 1.666062
C -4.760951 -0.591665 1.882918
C -6.102378 0.493498 0.113124
C -4.163098 -0.774317 0.442160
C -3.924883 1.609455 -0.262438
C 0.788234 -0.795938 -0.663000
C 3.921684 1.515154 1.173447
C 1.732528 -1.453537 0.178605
C 1.936767 1.376335 -0.299148
C -0.039217 1.315458 -1.771269
C -2.558191 1.499043 -0.799921
C 2.818939 -0.695055 0.831386
C 5.185488 1.577709 0.287505
C -0.251935 -1.557019 -1.264874
C -1.403367 1.419681 -1.225098
C 1.638856 -2.850079 0.398256
C -0.327264 -2.943471 -1.034830
C 6.295846 2.408276 0.964679
C 0.616702 -3.601333 -0.204825
H -6.953601 -0.208618 2.042946
H -5.948767 1.251790 2.191334
H -4.042539 -0.086256 2.552120
H -5.002111 -1.567594 2.339116
H -6.722019 -0.298865 -0.347335
H -6.524662 1.468353 -0.185914
H -3.060722 -0.774626 0.417049
H -4.512166 -1.729941 0.007711
H -4.467667 2.390605 -0.828565
H -3.853950 1.972176 0.794037
H 4.160690 1.042178 2.140546
H 3.520508 2.528531 1.337590
H -0.056202 0.812717 -2.756924
H 0.390737 2.323325 -1.910212
H 5.545212 0.548724 0.100136
H 4.920835 2.026247 -0.688353
H -1.007955 -1.075493 -1.888726
H 2.389342 -3.309037 1.049917
H 6.586294 1.968254 1.936989
H 7.199526 2.450089 0.330740
H 5.963264 3.447515 1.146103
H -1.134080 -3.515948 -1.505554
H 0.545928 -4.679992 -0.034856


