%chk=000190374.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000190374

0 1
O -1.330044 -0.133495 -0.789409
O -2.108544 1.657117 -2.842011
O 3.011553 0.952355 -0.084605
O 3.278984 -1.215414 0.623584
N -2.979047 2.772378 0.559516
N 1.207177 -0.362876 -0.108809
C -2.066945 2.593745 -0.603450
C -2.750116 1.594228 -1.565262
C -2.271061 2.764921 1.886682
C -2.743787 0.153986 -1.029851
C -2.013724 1.309618 2.297064
C -3.148028 3.483256 2.921341
C -1.007292 -1.382726 -0.293791
C 0.371464 -1.508064 0.063633
C -1.886839 -2.451136 -0.146198
C 0.829396 -2.731449 0.558840
C -1.401567 -3.668436 0.356123
C -0.060080 -3.805686 0.702699
C 5.217266 0.637745 -1.079992
C 4.441986 1.201507 0.106890
C 2.567847 -0.332851 0.193175
C 6.671013 1.092909 -1.046700
H -1.077050 2.192774 -0.295231
H -1.864474 3.537475 -1.153119
H -3.796647 1.906757 -1.799909
H -1.284987 3.299079 1.823690
H -3.524801 3.631222 0.444339
H -3.124901 -0.562296 -1.776540
H -3.289790 0.078175 -0.071162
H -2.953896 0.760291 2.425828
H -1.434479 0.771858 1.533811
H -1.460614 1.252590 3.239095
H -2.711722 3.405340 3.923748
H -3.264754 4.548033 2.697512
H -4.151495 3.041165 2.973102
H -1.221583 1.236574 -2.805891
H -2.935243 -2.360524 -0.415113
H 1.883789 -2.852420 0.836901
H 0.762339 0.488976 -0.468683
H -2.086441 -4.507494 0.471616
H 0.312058 -4.753021 1.090769
H 5.160351 -0.472273 -1.065918
H 4.733296 0.950228 -2.027119
H 4.756097 0.764098 1.070452
H 4.449098 2.305506 0.152941
H 7.230483 0.675978 -1.893696
H 7.179371 0.763161 -0.132247
H 6.761184 2.183814 -1.103944


%chk=000190374-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000190374

0 1
O -1.180088 -0.149975 -0.753587
O -1.740520 1.809088 -2.717918
O 3.157829 0.764341 -0.189068
O 3.457194 -1.485366 0.464481
N -3.169764 2.639303 0.681805
N 1.351053 -0.584192 -0.147478
C -2.169164 2.639522 -0.407799
C -2.584274 1.649226 -1.523700
C -2.703311 3.103194 2.021089
C -2.589950 0.194487 -1.043205
C -1.837962 2.018904 2.700513
C -3.939481 3.434915 2.881496
C -0.894533 -1.458737 -0.308318
C 0.479447 -1.689689 0.009105
C -1.848135 -2.485190 -0.167860
C 0.880757 -2.970524 0.454296
C -1.435616 -3.762844 0.281202
C -0.078908 -4.000586 0.585927
C 5.379751 0.610784 -1.321333
C 4.622083 0.987439 -0.040338
C 2.713976 -0.547006 0.079264
C 6.886283 0.927774 -1.189261
H -1.195525 2.321748 0.006209
H -2.015976 3.636065 -0.880378
H -3.604532 1.898594 -1.870849
H -2.087011 4.032224 1.926813
H -4.023877 3.141090 0.400537
H -2.969527 -0.476065 -1.837689
H -3.193860 0.106422 -0.120865
H -2.441307 1.109901 2.875608
H -0.968644 1.733720 2.080897
H -1.452751 2.383805 3.670617
H -3.636624 3.750409 3.895240
H -4.534706 4.254829 2.434748
H -4.587568 2.543707 2.972618
H -0.880489 1.346915 -2.540289
H -2.900853 -2.303381 -0.400891
H 1.932815 -3.140892 0.692244
H 0.914869 0.289536 -0.452327
H -2.176927 -4.561429 0.389192
H 0.241525 -4.988903 0.931536
H 5.236973 -0.467542 -1.518253
H 4.947010 1.165629 -2.175195
H 4.986087 0.396837 0.820157
H 4.703249 2.065497 0.178215
H 7.425627 0.657549 -2.114240
H 7.342526 0.360872 -0.356463
H 7.057635 2.004691 -1.001805


