%chk=000213301.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000213301

0 1
O -0.039815 -2.289311 0.285182
N -3.911881 -0.609296 0.164621
N 1.019952 -0.269238 0.052799
C -2.626162 -1.334682 0.411086
C -1.468185 -0.357620 0.131191
C -4.978600 -1.528636 -0.354352
C -4.366618 0.119372 1.396542
C -0.145176 -1.083914 0.164103
C -4.675029 -1.923082 -1.800289
C -5.351643 1.225420 1.014468
C 2.366384 -0.795030 0.093382
C 0.885246 1.169389 -0.127753
C 3.403518 -0.077733 -0.536054
C 0.536586 1.686124 -1.386327
C 2.649713 -1.998343 0.764850
C 1.108417 2.019993 0.966440
C 4.709489 -0.566569 -0.482235
C 0.398883 3.067573 -1.538726
C 3.961848 -2.472252 0.801732
C 0.969629 3.399394 0.794002
C 4.995989 -1.761408 0.184859
C 0.612853 3.923609 -0.452810
H -2.536194 -2.207352 -0.277504
H -2.535885 -1.750581 1.436868
H -1.486999 0.482985 0.855096
H -1.631905 0.121435 -0.861049
H -5.104942 -2.437511 0.272854
H -5.948515 -0.982062 -0.322520
H -4.823370 -0.556161 2.151944
H -3.476466 0.579069 1.880977
H -4.492880 -1.033770 -2.418387
H -3.779602 -2.552015 -1.875181
H -5.510676 -2.475756 -2.240802
H -4.941412 1.852985 0.211341
H -6.300962 0.820212 0.645991
H -5.570341 1.871048 1.870569
H 3.199373 0.849767 -1.067521
H 0.382661 1.017390 -2.232488
H 1.849529 -2.573737 1.238211
H 1.394038 1.606940 1.933420
H 5.510248 -0.010633 -0.968701
H 0.125650 3.478935 -2.510419
H 4.177633 -3.407449 1.318180
H 1.141472 4.068540 1.636982
H 6.015234 -2.137110 0.220777
H 0.503813 4.999569 -0.579348


%chk=000213301-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000213301

0 1
O -0.033555 -2.350376 -0.206505
N -3.941255 -0.672923 0.122704
N 1.033154 -0.261205 -0.056798
C -2.614621 -1.331695 0.243148
C -1.475985 -0.379471 -0.182501
C -5.033215 -1.635674 -0.189174
C -4.252852 0.189215 1.295944
C -0.116376 -1.087457 -0.158300
C -5.017876 -2.102845 -1.657167
C -5.262974 1.307465 0.975274
C 2.376413 -0.789321 0.083198
C 0.899289 1.183454 -0.164537
C 3.470940 -0.028166 -0.408204
C 0.572815 1.778262 -1.405729
C 2.629319 -2.031176 0.726286
C 1.121344 1.993935 0.974676
C 4.792442 -0.498465 -0.257493
C 0.445167 3.182338 -1.501706
C 3.955986 -2.490648 0.867437
C 1.000857 3.397129 0.872858
C 5.046044 -1.733445 0.380397
C 0.658129 3.994716 -0.363783
H -2.583472 -2.217615 -0.411563
H -2.426241 -1.706999 1.278518
H -1.453610 0.526312 0.450040
H -1.699365 -0.025201 -1.207154
H -5.000225 -2.524503 0.491474
H -5.995741 -1.128456 0.005886
H -4.623496 -0.420012 2.160375
H -3.308282 0.657150 1.631160
H -5.112234 -1.234097 -2.331930
H -4.082021 -2.632385 -1.911446
H -5.857365 -2.796777 -1.850957
H -4.875159 1.948591 0.164552
H -6.238184 0.902093 0.650245
H -5.443060 1.933868 1.869161
H 3.292099 0.928348 -0.908209
H 0.429171 1.142130 -2.285948
H 1.798263 -2.635716 1.089703
H 1.389459 1.520148 1.924913
H 5.622667 0.102830 -0.644703
H 0.188614 3.639653 -2.463433
H 4.134839 -3.450814 1.364433
H 1.170519 4.022340 1.756281
H 6.072131 -2.099331 0.494425
H 0.562402 5.083294 -0.439846


