%chk=000213918.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000213918

0 1
O -5.092927 -0.416155 -1.164525
O -0.727401 1.357711 2.171342
N -2.497957 -0.464012 0.025357
N 0.402646 0.723667 0.288324
C -3.459223 0.652987 0.315549
C -3.257288 -1.735966 -0.222039
C -1.541695 -0.648155 1.160300
C -4.393781 0.816813 -0.891441
C -4.193646 -1.511683 -1.421268
C -0.608537 0.561987 1.254107
C 0.542475 -0.228759 -0.847874
C 1.366423 1.798529 0.386381
C 1.224535 -1.515329 -0.441203
C 1.871421 2.184459 1.642150
C 1.803363 2.453124 -0.780562
C 0.692017 -2.739734 -0.872428
C 2.394620 -1.500101 0.330972
C 2.813377 3.210996 1.718553
C 2.750947 3.473878 -0.684511
C 1.326265 -3.937517 -0.531618
C 3.022125 -2.700834 0.673292
C 3.261510 3.854234 0.559965
C 2.490308 -3.920829 0.243201
H -2.877524 1.588069 0.478567
H -4.055384 0.482624 1.238228
H -3.850006 -2.065001 0.659030
H -2.532120 -2.544238 -0.452980
H -2.038870 -0.757036 2.153727
H -0.951041 -1.579872 1.003347
H -5.222289 1.517269 -0.684887
H -3.845510 1.126858 -1.798173
H -3.630199 -1.305713 -2.348253
H -4.886372 -2.358348 -1.571961
H 1.130738 0.244235 -1.671557
H -0.470888 -0.422878 -1.283042
H 1.505720 1.706759 2.553663
H 1.401006 2.177971 -1.753633
H -0.211981 -2.760062 -1.478462
H 2.814709 -0.550983 0.666657
H 3.199552 3.512922 2.692066
H 3.088746 3.979763 -1.588361
H 0.913108 -4.885847 -0.871370
H 3.929747 -2.684689 1.275418
H 3.998255 4.651069 0.628141
H 2.982227 -4.854384 0.509310


%chk=000213918-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000213918

0 1
O -5.066403 -0.336844 -1.236514
O -0.660551 1.317830 2.363801
N -2.483177 -0.473837 0.085863
N 0.397430 0.699205 0.362547
C -3.374510 0.708326 0.255228
C -3.296132 -1.699062 -0.150694
C -1.546059 -0.646252 1.226788
C -4.258793 0.871200 -0.989954
C -4.181278 -1.500928 -1.392301
C -0.565588 0.534239 1.370419
C 0.498733 -0.277636 -0.757905
C 1.327522 1.811021 0.402863
C 1.198046 -1.587679 -0.387598
C 1.995560 2.157430 1.605292
C 1.581926 2.559023 -0.774653
C 0.825990 -2.784125 -1.051317
C 2.238481 -1.633800 0.573915
C 2.913691 3.228737 1.617267
C 2.508598 3.624029 -0.756313
C 1.483819 -4.002420 -0.767897
C 2.894789 -2.851581 0.861758
C 3.181175 3.964029 0.439290
C 2.521480 -4.040061 0.191950
H -2.757748 1.614301 0.395703
H -4.020522 0.595124 1.159810
H -3.945616 -1.932065 0.729086
H -2.616024 -2.557752 -0.311065
H -2.076987 -0.706348 2.203889
H -0.989646 -1.590420 1.078465
H -4.985998 1.688550 -0.855969
H -3.620964 1.080615 -1.876199
H -3.537333 -1.365623 -2.289237
H -4.850762 -2.363621 -1.544675
H 1.067306 0.206910 -1.570187
H -0.520631 -0.479925 -1.134260
H 1.780243 1.605574 2.522905
H 1.040465 2.330563 -1.699428
H 0.019485 -2.761415 -1.796070
H 2.534708 -0.716957 1.094901
H 3.422470 3.487969 2.552361
H 2.693415 4.193961 -1.673618
H 1.184518 -4.918955 -1.288947
H 3.698182 -2.872828 1.606828
H 3.896972 4.792954 0.454649
H 3.030920 -4.983658 0.416724


