%chk=000197575.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000197575

0 1
O -0.924285 -0.620607 1.861117
O 3.811331 1.874743 0.656961
O -6.324820 -0.659344 -1.404958
O -2.377231 2.847457 0.181375
N -1.361135 -2.290741 0.349588
N 2.756825 1.571984 -1.356130
N -4.412990 -0.217590 -0.227349
N -0.218504 2.361675 0.749554
C 4.044250 -3.140920 -0.238817
C 4.549735 -1.806682 -0.805782
C 3.048893 -3.006163 0.921268
C 5.259774 -0.947204 0.246258
C 1.730206 -2.340122 0.506047
C 6.023897 0.245046 -0.343599
C 0.719493 -2.370886 1.658657
C 5.171378 1.170217 -1.224215
C -0.576368 -1.659261 1.319306
C 3.890451 1.573768 -0.520709
C -2.651331 -1.842947 -0.094198
C 1.433811 1.939533 -0.941758
C -3.160717 -0.593644 0.223882
C 1.076651 2.026091 0.394110
C -3.426883 -2.745380 -0.897860
C 0.455797 2.205202 -1.958677
C -4.653197 -2.372438 -1.349526
C -0.820538 2.518594 -1.608425
C -5.236042 -1.075642 -1.043879
C -1.246992 2.600199 -0.222667
C -4.930692 1.119638 0.149819
C -0.571300 2.394975 2.189571
H 4.909464 -3.743291 0.105736
H 3.582947 -3.727413 -1.057994
H 5.239036 -2.014307 -1.647793
H 3.701740 -1.242009 -1.238815
H 3.512108 -2.431640 1.748380
H 2.846767 -4.013918 1.335939
H 4.518842 -0.576082 0.986593
H 5.968860 -1.570991 0.826077
H 1.919824 -1.288975 0.202592
H 1.317878 -2.843790 -0.388288
H 6.888437 -0.112540 -0.936299
H 6.446577 0.838488 0.496048
H 1.154626 -1.868334 2.552899
H 0.519568 -3.411783 1.981966
H 5.745898 2.094732 -1.452868
H 4.984973 0.683189 -2.200705
H -1.028444 -3.150760 -0.083572
H 2.852654 1.341938 -2.343172
H -2.594528 0.128141 0.843633
H 1.807090 1.844200 1.203316
H -3.021508 -3.729414 -1.139138
H 0.747421 2.152588 -3.009086
H -5.274615 -3.024512 -1.963699
H -1.596450 2.723301 -2.347322
H -5.848156 1.347275 -0.429403
H -5.184413 1.156085 1.221156
H -4.183631 1.914430 -0.062642
H -1.572074 2.854433 2.321722
H -0.624119 1.361699 2.595382
H 0.159357 2.979308 2.768193


%chk=000197575-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000197575

0 1
O -0.662522 -0.446547 1.013496
O 4.062284 1.964468 1.042494
O -6.927055 -0.910668 -0.867212
O -2.313815 2.619154 0.036551
N -1.718635 -2.462253 0.470601
N 3.108287 1.914378 -1.093166
N -4.728848 -0.344682 -0.237306
N -0.077562 2.528872 0.757329
C 4.149230 -3.073820 -0.574896
C 4.753168 -1.685474 -0.908470
C 3.039404 -3.083076 0.507567
C 5.397114 -0.981792 0.310309
C 1.756955 -2.304749 0.128921
C 6.237657 0.274237 -0.028947
C 0.636377 -2.524198 1.183320
C 5.494886 1.351642 -0.863752
C -0.627827 -1.712654 0.890731
C 4.176054 1.775472 -0.209039
C -3.032712 -2.023793 0.124147
C 1.744060 2.188949 -0.787794
C -3.432353 -0.684210 0.099870
C 1.265787 2.335365 0.515689
C -3.998774 -3.031145 -0.216824
C 0.805832 2.274180 -1.870106
C -5.296071 -2.686778 -0.556843
C -0.544652 2.457074 -1.619826
C -5.749240 -1.303793 -0.579551
C -1.072579 2.541538 -0.269982
C -5.145451 1.079500 -0.247592
C -0.565262 2.571090 2.153833
H 4.970088 -3.739978 -0.237761
H 3.744289 -3.524397 -1.504787
H 5.519966 -1.820767 -1.700113
H 3.966125 -1.037461 -1.344037
H 3.438414 -2.682260 1.460894
H 2.766161 -4.139780 0.710571
H 4.612821 -0.692303 1.035309
H 6.054112 -1.705596 0.835084
H 1.962089 -1.220252 0.054013
H 1.400138 -2.637072 -0.867488
H 7.147582 -0.019714 -0.589383
H 6.571814 0.739251 0.916851
H 1.013189 -2.198961 2.171511
H 0.412287 -3.607442 1.259865
H 6.144568 2.245503 -0.945265
H 5.319953 0.984563 -1.893736
H -1.576145 -3.472915 0.414684
H 3.311432 1.755671 -2.082298
H -2.748814 0.130954 0.341227
H 1.940635 2.286612 1.370443
H -3.702837 -4.089288 -0.205665
H 1.161412 2.186962 -2.905596
H -6.042634 -3.441147 -0.817826
H -1.277529 2.512764 -2.428543
H -5.670138 1.289390 -1.193781
H -5.863209 1.259551 0.571607
H -4.259607 1.723440 -0.140265
H -1.440118 3.236584 2.204730
H -0.872910 1.554714 2.452618
H 0.238725 2.936686 2.811385


