%chk=000193641.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000193641

0 1
O 1.108526 2.925011 -0.398277
O 4.020595 0.866886 -0.480437
O 5.238138 3.059810 0.089924
O 4.347783 3.872851 2.438193
O -4.103002 -1.809791 0.177335
O -3.243142 2.568129 -0.938183
O -4.285042 1.110080 2.110067
O -6.461004 1.483031 1.745192
N 0.398327 -0.339059 -0.883310
N -1.331050 -2.404465 0.042721
N -1.421438 1.153669 -0.902604
N -3.680029 0.374092 -0.371760
C 1.806689 1.679358 -0.390168
C 1.267319 0.718136 -1.471193
C 3.271503 2.072912 -0.698587
C 0.938579 -1.588210 -0.496694
C 3.809106 3.208802 0.200989
C -0.964977 -0.075486 -0.684432
C 0.040807 -2.609405 -0.060769
C -1.800912 -1.215691 -0.241193
C 2.327350 -1.850100 -0.526105
C 3.402751 3.104222 1.681013
C 2.816944 -3.098619 -0.171463
C 0.561303 -3.888170 0.291591
C 1.917041 -4.141548 0.234349
C -3.281668 -0.972269 -0.104684
C -2.790785 1.465631 -0.750208
C 4.285441 -3.350287 -0.207311
C 2.444283 -5.489171 0.601695
C -5.097033 0.718257 -0.125392
C -5.391516 1.142326 1.299816
H 1.718305 1.232737 0.627523
H 0.683753 1.298602 -2.233157
H 2.107378 0.231927 -2.025582
H 3.403538 2.358162 -1.768862
H 3.545615 4.203157 -0.226111
H 3.029191 -1.048865 -0.802461
H 2.368782 3.450306 1.854623
H 3.534309 2.079753 2.082020
H -0.151673 -4.656183 0.610703
H 0.127271 2.788653 -0.524050
H 4.970003 1.113128 -0.274380
H 5.667489 3.325594 0.951649
H 4.865262 -2.464910 -0.508611
H 4.666106 -3.657752 0.779394
H 4.538839 -4.155034 -0.914979
H 1.647805 -6.194655 0.878768
H 2.996756 -5.947114 -0.232171
H 3.130364 -5.433205 1.460019
H -5.751286 -0.161972 -0.370538
H -5.401972 1.557164 -0.809165
H 4.136899 4.830485 2.379464
H -4.495819 1.392092 3.043687


%chk=000193641-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000193641

0 1
O 0.897514 2.817676 -0.256126
O 4.139256 1.108027 -0.615546
O 5.114910 3.531042 -0.149758
O 4.322996 4.199325 2.377958
O -4.111044 -1.759619 0.119662
O -3.004191 2.714481 -0.669414
O -4.324251 1.078589 2.148827
O -6.526776 1.538567 1.564326
N 0.471453 -0.415651 -0.797292
N -1.343074 -2.454660 -0.015391
N -1.249695 1.178845 -0.701998
N -3.549148 0.463555 -0.341992
C 1.814643 1.693205 -0.328172
C 1.351235 0.638473 -1.368512
C 3.195968 2.232495 -0.730969
C 0.974140 -1.685692 -0.462331
C 3.672712 3.404940 0.150959
C -0.871866 -0.102013 -0.582940
C 0.020689 -2.702975 -0.087777
C -1.762660 -1.207826 -0.244324
C 2.358019 -1.995717 -0.466142
C 3.506665 3.184327 1.665817
C 2.802694 -3.292603 -0.141248
C 0.492149 -4.010081 0.224817
C 1.855064 -4.328984 0.198137
C -3.224646 -0.902656 -0.132646
C -2.602089 1.524995 -0.577579
C 4.287321 -3.589862 -0.136652
C 2.328470 -5.728105 0.537669
C -4.959023 0.847344 -0.191881
C -5.374114 1.192474 1.237593
H 1.917759 1.183011 0.656363
H 0.778219 1.158764 -2.156620
H 2.222537 0.145329 -1.820799
H 3.167115 2.591290 -1.781927
H 3.134675 4.324157 -0.150812
H 3.102114 -1.220129 -0.674043
H 2.442440 3.240716 1.957496
H 3.938305 2.217646 1.972995
H -0.263597 -4.754013 0.494658
H -0.037259 2.441902 -0.421337
H 5.038720 1.539953 -0.566206
H 5.513878 4.011789 0.627272
H 4.880146 -2.694710 -0.383646
H 4.619672 -3.960195 0.851689
H 4.539495 -4.380696 -0.869058
H 1.477719 -6.395186 0.751456
H 2.908616 -6.173392 -0.292662
H 2.990607 -5.729270 1.424498
H -5.596302 0.012318 -0.526906
H -5.155259 1.735352 -0.814180
H 3.817837 5.050024 2.424940
H -4.652957 1.316427 3.057652


