%chk=000218413.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218413

0 1
O 6.301842 0.465885 2.362203
O -3.089239 1.227735 -1.390923
N 0.772576 -1.211573 -0.737735
N 3.618400 -0.861604 -1.308372
N -2.976026 -0.867115 -0.502021
N 4.892294 -0.163734 0.587673
N -6.324884 0.280402 1.953064
N -8.561246 1.005791 1.913769
C 1.256937 -0.024268 -1.518210
C 1.809537 -1.640453 0.259196
C 2.559507 -0.398789 -2.254083
C 3.111434 -2.000456 -0.486546
C -0.529685 -0.907804 -0.062352
C -1.650620 -1.140891 -1.101112
C 4.398263 0.132922 -0.668615
C 4.760102 1.329834 -1.337915
C 5.655656 2.209456 -0.727860
C 5.771790 0.721404 1.131732
C -3.597417 0.372594 -0.680856
C 6.187932 1.927285 0.527420
C -4.903008 0.545221 0.006858
C -5.926852 1.240857 -0.666644
C -5.146026 0.100452 1.319683
C 5.916173 -0.774948 3.021625
C -7.153564 1.438558 -0.050825
C -7.335453 0.929593 1.264131
H 0.473484 0.245194 -2.261066
H 1.420858 0.875581 -0.886064
H 2.021858 -0.868653 1.030945
H 1.430207 -2.540482 0.787993
H 2.924033 0.460092 -2.857667
H 2.370433 -1.236786 -2.965501
H 2.934321 -2.849684 -1.185456
H 3.890805 -2.326933 0.237690
H -0.672806 -1.589287 0.802169
H -0.591690 0.126483 0.340539
H -1.500421 -0.473501 -1.985213
H -1.619773 -2.186636 -1.477036
H -3.392915 -1.603056 0.052758
H 4.361761 1.549665 -2.322971
H 5.941991 3.129068 -1.241603
H 6.886228 2.583477 1.031570
H -5.739194 1.624474 -1.674938
H -4.368856 -0.406736 1.907488
H -7.955955 1.961783 -0.560291
H 6.491279 -0.716605 3.951831
H 4.837515 -0.779191 3.202917
H 6.212426 -1.630587 2.407116
H -8.609847 0.742870 2.889114
H -9.244663 1.674694 1.603492


%chk=000218413-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000218413

0 1
O 7.584832 -0.120246 1.518381
O -3.292604 1.115199 -1.222567
N 0.572113 -0.820769 -0.111148
N 3.340912 -0.144622 -0.535713
N -3.218351 -1.027834 -0.337701
N 5.481298 -0.112173 0.442381
N -7.352992 -0.599696 0.869957
N -9.287961 0.690485 1.051198
C 0.947023 0.385819 -0.888926
C 1.578957 -1.065482 0.952103
C 2.329572 0.205279 -1.547541
C 2.965875 -1.285384 0.323952
C -0.823832 -0.773318 0.380860
C -1.813266 -1.221581 -0.726054
C 4.647912 0.345658 -0.554109
C 5.123562 1.278791 -1.527381
C 6.454296 1.738155 -1.425702
C 6.747375 0.346556 0.505180
C -3.879864 0.161574 -0.610213
C 7.305789 1.284728 -0.398099
C -5.307704 0.280576 -0.167092
C -5.977374 1.514278 -0.411552
C -6.059831 -0.735265 0.475920
C 7.008119 -1.095318 2.459434
C -7.308568 1.687914 -0.019910
C -7.976438 0.600799 0.628442
H 0.194022 0.567272 -1.675747
H 0.975195 1.292234 -0.232582
H 1.634285 -0.211989 1.674402
H 1.290894 -1.973584 1.513694
H 2.600487 1.148509 -2.046685
H 2.261869 -0.591899 -2.319369
H 2.934421 -2.215168 -0.284842
H 3.741490 -1.394035 1.096850
H -0.913120 -1.455751 1.247853
H -1.117832 0.244998 0.729476
H -1.641447 -0.624943 -1.637263
H -1.638017 -2.284305 -0.969033
H -3.687135 -1.768251 0.183027
H 4.494077 1.629063 -2.347126
H 6.830958 2.453561 -2.165148
H 8.340485 1.613499 -0.289296
H -5.416617 2.309761 -0.912859
H -5.632959 -1.723360 0.695537
H -7.832008 2.632096 -0.203043
H 7.825404 -1.313574 3.163261
H 6.137533 -0.666272 2.986060
H 6.688197 -2.010747 1.931051
H -9.700929 -0.122608 1.503359
H -9.838600 1.532967 0.915423


