%chk=000203084.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000203084

0 1
O 3.462518 -2.781408 -0.508564
O 1.692926 3.451841 1.070204
N 1.991875 -0.141012 0.209993
N -0.216477 -0.890706 -0.420616
N -1.483699 -0.140219 -2.178973
C 1.001609 -1.260445 0.323426
C 3.389770 -0.621111 0.441637
C 1.648267 1.030447 1.070437
C -1.440466 -0.455124 0.131067
C -2.231724 -0.010732 -0.987776
C -0.291375 -0.634515 -1.819609
C 3.871055 -1.420247 -0.776908
C 1.967822 2.302145 0.260203
C -1.947485 -0.435233 1.441486
C -3.543095 0.455557 -0.782680
C -3.240306 0.035350 1.610527
C -4.027397 0.474883 0.515050
H 0.723954 -1.515284 1.373672
H 1.445651 -2.184086 -0.147167
H 3.491820 -1.253680 1.353883
H 4.052289 0.261994 0.584563
H 2.191759 1.052935 2.038568
H 0.566974 1.026824 1.331971
H 0.537909 -0.846749 -2.480987
H 4.970642 -1.392591 -0.870161
H 3.400091 -1.082229 -1.718108
H 1.390786 2.347752 -0.679825
H 3.045543 2.402527 0.038309
H -1.353333 -0.780807 2.280313
H -4.139891 0.784283 -1.631852
H -3.675043 0.070890 2.609118
H -5.037565 0.831487 0.710834
H 3.757570 -3.372535 -1.227032
H 0.728828 3.584401 1.164395


%chk=000203084-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000203084

0 1
O 3.186365 -2.643017 -0.962460
O 2.095819 3.586257 0.924432
N 2.016557 -0.169195 0.344464
N -0.251519 -0.774701 -0.295994
N -1.508624 -0.209155 -2.132792
C 0.942349 -1.169203 0.472574
C 3.387310 -0.706947 0.497013
C 1.762407 1.115426 1.039236
C -1.533884 -0.465293 0.196903
C -2.307570 -0.117115 -0.965630
C -0.305260 -0.599511 -1.685302
C 3.932311 -1.384196 -0.765037
C 2.232542 2.318238 0.192228
C -2.085472 -0.455601 1.496959
C -3.664846 0.252698 -0.827832
C -3.441344 -0.080333 1.611570
C -4.219898 0.268072 0.468291
H 0.606073 -1.318108 1.524672
H 1.333435 -2.125229 0.088790
H 3.472230 -1.424709 1.346881
H 4.058551 0.139770 0.730493
H 2.254904 1.165536 2.037687
H 0.672779 1.209418 1.211144
H 0.572299 -0.761666 -2.307060
H 5.013927 -1.598363 -0.625031
H 3.797271 -0.704822 -1.631270
H 1.679545 2.331925 -0.768909
H 3.311354 2.246096 -0.027327
H -1.504859 -0.730509 2.384249
H -4.255680 0.515664 -1.710669
H -3.908209 -0.060223 2.602735
H -5.269764 0.549656 0.604544
H 3.496918 -3.093813 -1.786174
H 1.133784 3.787557 1.046020


