%chk=000221934.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000221934

0 1
O 2.703644 0.117747 -0.001864
O 2.331606 -2.105476 -0.004446
C -3.769752 0.464647 0.000254
C -2.273738 0.130786 -0.000598
C -4.404838 -0.145971 1.265150
C -4.406077 -0.144261 -1.264848
C -4.035059 1.981107 0.001360
C -1.878552 -1.221632 -0.002497
C -1.281012 1.121267 0.000563
C -0.531833 -1.573877 -0.003262
C 0.072732 0.776594 -0.000197
C 0.453497 -0.571378 -0.002117
C 1.873663 -0.982866 -0.002978
C 4.147522 -0.150252 -0.002583
C 4.764841 1.244806 0.000024
C 6.286598 1.163157 -0.000586
H -5.470727 0.096687 1.330159
H -4.320315 -1.237385 1.282674
H -3.924304 0.233286 2.173947
H -4.321869 -1.235676 -1.283791
H -5.471961 0.098746 -1.328645
H -3.926227 0.235998 -2.173587
H -5.110972 2.190317 0.001857
H -3.614744 2.466830 0.888567
H -3.615318 2.467997 -0.885479
H -2.634201 -2.006916 -0.003389
H -1.548540 2.176994 0.002090
H -0.229137 -2.624691 -0.004741
H 0.841427 1.553928 0.000703
H 4.383041 -0.737865 -0.905466
H 4.383381 -0.741390 0.897912
H 4.403869 1.814103 -0.880825
H 4.404384 1.810587 0.883343
H 6.666855 0.639948 -0.886326
H 6.733163 2.165016 0.001594
H 6.667355 0.635887 0.882528


%chk=000221934-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000221934

0 1
O 2.745040 0.225070 -0.001230
O 2.330637 -2.069060 -0.003408
C -3.851415 0.445461 0.000196
C -2.334743 0.140918 -0.000259
C -4.500167 -0.182825 1.271141
C -4.500239 -0.179664 -1.272253
C -4.151735 1.966159 0.002100
C -1.886998 -1.211524 -0.001930
C -1.345304 1.159153 0.000782
C -0.518975 -1.532355 -0.002476
C 0.031098 0.848792 0.000232
C 0.457090 -0.501616 -0.001396
C 1.895380 -0.889418 -0.002084
C 4.204669 -0.077096 -0.001939
C 4.942971 1.262505 -0.000711
C 6.473958 1.058791 -0.001551
H -5.589698 0.009241 1.275486
H -4.348757 -1.276286 1.310632
H -4.067554 0.252421 2.190576
H -4.348555 -1.272983 -1.314613
H -5.589817 0.012150 -1.275929
H -4.067879 0.258089 -2.190618
H -5.245536 2.125958 0.002652
H -3.741065 2.464846 0.899605
H -3.741656 2.466986 -0.894481
H -2.619791 -2.026461 -0.002829
H -1.644563 2.211154 0.002030
H -0.180723 -2.573990 -0.003758
H 0.781538 1.644536 0.001043
H 4.439766 -0.682717 -0.897432
H 4.440263 -0.684670 0.892094
H 4.635514 1.845807 -0.889026
H 4.636213 1.843811 0.889153
H 6.805413 0.498396 -0.895891
H 6.997904 2.030970 -0.000589
H 6.806121 0.496252 0.891180


