%chk=000188406.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000188406

0 1
S 0.345754 3.042784 -0.856422
S -1.123885 2.850961 -2.324473
N 1.902165 3.034663 0.429811
N -3.798873 3.105364 -0.552366
C 2.373619 1.704092 -0.114861
C -2.914190 1.912637 -0.441907
C 2.415993 0.617147 0.972210
C -3.770814 0.728394 0.079839
C 1.295324 1.481535 -1.183669
C -2.230680 1.529148 -1.762194
C 2.902557 -0.689894 0.405535
C -2.909005 -0.396107 0.576519
C 1.990437 -1.714096 0.112120
C -2.738785 -1.558805 -0.191524
C 4.271896 -0.888021 0.169869
C -2.259647 -0.290387 1.818173
C 2.446792 -2.925087 -0.415654
C -1.932214 -2.599424 0.277251
C 4.721330 -2.101230 -0.357837
C -1.454463 -1.332786 2.281556
C 3.810899 -3.121370 -0.652304
C -1.287501 -2.489897 1.512988
H 3.385961 1.805993 -0.579898
H -2.133122 2.150856 0.331486
H 1.407130 0.488179 1.423887
H 3.073819 0.931278 1.808269
H -4.425372 1.101500 0.899316
H -4.471196 0.385094 -0.704816
H 0.676939 0.586442 -1.028592
H 1.683728 1.445736 -2.210858
H -2.963392 1.364422 -2.573991
H -1.669868 0.583022 -1.656422
H 2.576069 3.787333 0.305620
H 1.615675 3.008197 1.406772
H -4.446754 3.012738 -1.329179
H -3.243379 3.940858 -0.735438
H 0.923918 -1.571639 0.295680
H -3.238648 -1.653479 -1.153419
H 4.986761 -0.101298 0.398495
H -2.390489 0.607088 2.420639
H 1.735118 -3.717538 -0.643869
H -1.809957 -3.500242 -0.321777
H 5.784335 -2.252377 -0.540085
H -0.960688 -1.247968 3.247905
H 4.163316 -4.064900 -1.064166
H -0.665912 -3.303315 1.879481


%chk=000188406-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000188406

0 1
S 0.396205 3.156247 -0.457694
S -0.917360 2.749068 -2.309435
N 2.780751 3.278404 0.987638
N -3.938770 2.637263 -1.099773
C 2.870367 2.052028 0.168579
C -2.967423 1.620034 -0.645412
C 2.432306 0.837571 1.037120
C -3.758223 0.368194 -0.164612
C 1.971270 2.255511 -1.065639
C -1.901693 1.239509 -1.705969
C 2.633106 -0.497896 0.337243
C -2.926757 -0.682816 0.555856
C 1.523498 -1.279714 -0.073358
C -2.777834 -1.991562 0.029260
C 3.939984 -0.985221 0.066954
C -2.299171 -0.381525 1.794621
C 1.712014 -2.511829 -0.741400
C -2.029650 -2.974802 0.718307
C 4.132918 -2.213845 -0.602102
C -1.550209 -1.359130 2.485912
C 3.017061 -2.981714 -1.012234
C -1.412961 -2.662170 1.950980
H 3.905218 1.844607 -0.197456
H -2.427875 2.045311 0.223569
H 1.373707 0.981804 1.319544
H 3.032317 0.863850 1.970911
H -4.551107 0.754222 0.504350
H -4.269037 -0.088433 -1.037486
H 1.680862 1.301229 -1.530403
H 2.447122 2.901469 -1.822368
H -2.380366 0.847401 -2.625277
H -1.179258 0.495230 -1.330619
H 3.035633 4.152255 0.519929
H 3.136015 3.204913 1.944505
H -4.565766 2.288066 -1.836923
H -3.475135 3.505833 -1.397315
H 0.507082 -0.933265 0.148564
H -3.260218 -2.244258 -0.923384
H 4.812192 -0.403434 0.392817
H -2.409338 0.621781 2.224459
H 0.838660 -3.101647 -1.041835
H -1.934686 -3.982869 0.298016
H 5.148788 -2.575196 -0.799562
H -1.077526 -1.108286 3.442429
H 3.164969 -3.936242 -1.529908
H -0.830980 -3.420344 2.486300


