%chk=000201101.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000201101

0 1
O -4.699204 1.657096 -0.908785
O -5.561369 -0.405286 0.991082
N 0.742236 -0.428717 0.123417
C 2.144206 -0.161276 -0.322977
C 3.085796 -0.296419 0.887755
C -0.226899 -0.303660 -1.011750
C -1.641705 -0.306228 -0.486212
C 4.517914 -0.143253 0.456076
C -2.532718 0.701467 -0.878454
C -2.066781 -1.321617 0.385646
C -3.851598 0.676357 -0.410037
C 5.243729 -1.259522 0.011806
C 5.135795 1.116331 0.486806
C -4.283023 -0.362345 0.443651
C -3.382858 -1.355632 0.847954
C 6.573107 -1.115506 -0.392937
C 6.465932 1.254645 0.080998
C 7.187403 0.140639 -0.359231
C -5.319163 2.488075 0.111401
C -6.607584 -0.636821 0.006966
H 2.413769 -0.919699 -1.092264
H 2.276349 0.835527 -0.796906
H 2.923848 -1.283314 1.373464
H 2.827710 0.449685 1.665425
H -0.081891 -1.190963 -1.675055
H -0.042710 0.591189 -1.647665
H 0.481342 0.228246 0.868430
H -2.227305 1.506953 -1.544071
H -1.355950 -2.088761 0.700495
H 4.770232 -2.239130 -0.016876
H 4.580765 1.987428 0.827729
H -3.725465 -2.142499 1.519025
H 7.132362 -1.984784 -0.735085
H 6.941411 2.233656 0.108544
H 8.222708 0.250247 -0.673666
H -4.554855 3.126029 0.563089
H -5.819676 1.872090 0.867813
H -6.035907 3.074997 -0.472178
H -6.561973 0.115629 -0.788338
H -7.517461 -0.537344 0.607722
H -6.505917 -1.647709 -0.396706


%chk=000201101-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000201101

0 1
O -5.035004 1.494271 -0.994482
O -5.627564 -0.617639 0.948609
N 0.793464 0.065354 0.178460
C 2.198671 0.105412 -0.271455
C 3.157916 -0.217908 0.902749
C -0.210783 0.278816 -0.885417
C -1.634564 0.076886 -0.376490
C 4.612988 -0.245229 0.460836
C -2.691983 0.876406 -0.872414
C -1.926397 -0.923799 0.585235
C -4.020773 0.672349 -0.443562
C 5.192453 -1.439449 -0.041508
C 5.411208 0.927266 0.498577
C -4.312170 -0.367703 0.485214
C -3.254793 -1.143792 1.007052
C 6.530464 -1.462693 -0.495230
C 6.750286 0.910005 0.046278
C 7.314869 -0.286326 -0.453683
C -5.747830 2.338471 -0.007605
C -6.567299 -1.079506 -0.099330
H 2.328012 -0.655854 -1.066037
H 2.492841 1.087096 -0.721006
H 2.854106 -1.193202 1.325651
H 3.015947 0.541536 1.698043
H 0.003386 -0.461273 -1.685008
H -0.134608 1.284087 -1.370186
H 0.627474 0.685693 0.983619
H -2.504292 1.679398 -1.594638
H -1.101999 -1.522017 0.985382
H 4.591305 -2.357116 -0.070377
H 4.981958 1.857731 0.891845
H -3.500278 -1.924139 1.735098
H 6.962303 -2.395758 -0.875255
H 7.352797 1.824787 0.087088
H 8.353796 -0.303108 -0.801909
H -5.047664 3.067338 0.443604
H -6.206059 1.720591 0.785565
H -6.522549 2.869521 -0.581656
H -6.636764 -0.344313 -0.921521
H -7.539547 -1.188681 0.405277
H -6.238724 -2.057707 -0.499314


