%chk=000253638.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000253638

0 1
O -0.600261 -0.007374 2.143777
O -2.260456 2.255921 0.591278
O -3.211681 -1.650749 0.207844
O -4.175069 1.510821 -0.361124
O 5.128353 -2.740385 -0.575775
O -2.588313 -0.990736 -1.862231
N 1.482225 -0.367283 1.143582
N 2.471230 -2.434283 1.006164
N 3.222481 0.906942 -0.200276
N 5.026202 -0.481873 -0.997820
C -1.536726 1.050616 0.199668
C 0.491409 0.677066 1.522596
C -0.058340 1.446027 0.307306
C -1.760074 -0.046926 1.262401
C -1.858324 -1.464543 0.683896
C 2.653339 -0.224033 0.390262
C 1.429790 -1.762839 1.501243
C 3.251748 -1.508525 0.308676
C -3.592501 2.383895 0.234714
C 4.512771 -1.722553 -0.418064
C 4.458138 0.674158 -0.895077
C -3.480720 -1.324907 -1.118159
C -4.085021 3.701503 0.711095
C -4.937005 -1.450817 -1.355339
H -1.859490 0.757933 -0.827670
H 0.922272 1.315576 2.332267
H 0.468894 1.208427 -0.636755
H 0.028501 2.542913 0.451929
H -2.614683 0.178533 1.940084
H -1.765399 -2.233455 1.475433
H -1.128373 -1.663129 -0.123866
H 0.628382 -2.148143 2.116090
H 2.815329 1.825372 -0.094379
H 4.891654 1.578776 -1.351068
H -3.324162 4.262450 1.278503
H -4.965972 3.578813 1.363523
H -4.400525 4.331664 -0.137625
H -5.149655 -1.816159 -2.371630
H -5.433761 -2.115987 -0.631671
H -5.409610 -0.451507 -1.254401


%chk=000253638-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000253638

0 1
O -0.654810 -0.078587 2.016020
O -2.132119 2.297244 0.662859
O -3.396548 -1.716683 0.049491
O -4.283406 1.699919 -0.010612
O 5.633130 -2.458139 0.114945
O -2.777508 -1.014488 -2.089135
N 1.550489 -0.387052 1.144403
N 2.841967 -2.249416 1.489421
N 3.153359 0.855857 -0.350725
N 5.220116 -0.319878 -0.799527
C -1.650518 0.996259 0.108604
C 0.440631 0.588851 1.318734
C -0.124243 1.103612 -0.037390
C -1.858685 -0.134088 1.138837
C -1.999000 -1.541067 0.517482
C 2.732581 -0.207737 0.434618
C 1.682807 -1.648748 1.782433
C 3.525304 -1.357456 0.640339
C -3.514709 2.529158 0.526580
C 4.849830 -1.483067 0.009735
C 4.427865 0.714660 -0.937426
C -3.671757 -1.371850 -1.287756
C -3.901010 3.872937 1.095853
C -5.149912 -1.454439 -1.559750
H -2.164972 0.799608 -0.843355
H 0.791454 1.406869 1.975284
H 0.208910 0.454980 -0.865726
H 0.161356 2.146346 -0.252256
H -2.726929 0.055476 1.790450
H -1.862605 -2.304169 1.298545
H -1.296556 -1.712513 -0.317678
H 0.901692 -2.031076 2.431197
H 2.594706 1.694699 -0.514300
H 4.741439 1.568223 -1.552112
H -3.040263 4.377128 1.557121
H -4.700715 3.738330 1.844192
H -4.312859 4.506175 0.290483
H -5.327418 -1.589326 -2.636867
H -5.618174 -2.266702 -0.983071
H -5.606322 -0.498651 -1.240538


