%chk=000189450.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000189450

0 1
O -4.393243 -1.516851 -0.626934
O -2.055808 -3.098515 0.359380
N 0.409641 -1.967895 -0.192595
C -3.208592 -1.073876 0.074121
C -2.005639 -1.905656 -0.439205
C -0.675748 -1.187998 -0.278820
C -0.613522 0.243139 -0.244442
C -3.104536 0.397213 -0.252234
C -1.850050 1.027625 -0.387059
C 1.801564 0.031769 0.030921
C 0.634673 0.827595 -0.077302
C 1.646348 -1.378284 -0.039609
C -4.283075 1.140421 -0.399024
C -1.807582 2.403547 -0.672152
C 3.133500 0.589221 0.206072
C 4.241091 -0.288893 0.293336
C 2.800522 -2.250372 0.051790
C -4.226504 2.507250 -0.679500
C -2.986255 3.137993 -0.814918
C 4.038785 -1.721430 0.210383
C 3.358699 1.988696 0.292602
C -4.951252 -2.748001 -0.119115
C 5.546321 0.244281 0.462822
C 4.636135 2.488303 0.458005
C 5.740552 1.609459 0.543600
H -3.333699 -1.233230 1.172365
H -2.159340 -2.199399 -1.507271
H 0.730253 1.916000 -0.025761
H -5.246714 0.631167 -0.309224
H -0.847995 2.905235 -0.791969
H -1.198516 -3.589073 0.308637
H 2.626444 -3.326115 -0.012040
H -5.146607 3.077484 -0.796087
H -2.937934 4.203184 -1.036249
H 4.918785 -2.362672 0.280688
H 2.509824 2.669797 0.228247
H -5.391890 -2.577370 0.866549
H -4.186240 -3.534952 -0.076008
H -5.719201 -2.983893 -0.863800
H 6.393276 -0.438094 0.528635
H 4.804447 3.562588 0.524317
H 6.740685 2.020501 0.673647


%chk=000189450-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000189450

0 1
O -4.492269 -1.590328 -0.335333
O -1.934895 -3.207471 -0.375688
N 0.350448 -1.924016 -0.323734
C -3.166661 -1.080466 0.001476
C -2.035259 -1.808700 -0.762799
C -0.706608 -1.108834 -0.483225
C -0.636778 0.319401 -0.388679
C -3.143948 0.413080 -0.345814
C -1.896203 1.089834 -0.519940
C 1.786896 0.055501 -0.003682
C 0.630270 0.878239 -0.143538
C 1.597024 -1.372354 -0.090730
C -4.352143 1.131955 -0.469181
C -1.900991 2.480205 -0.809029
C 3.130701 0.580336 0.242080
C 4.225149 -0.348024 0.396522
C 2.712836 -2.268177 0.071565
C -4.342152 2.516429 -0.750985
C -3.111498 3.192875 -0.919984
C 3.981172 -1.770523 0.306388
C 3.413480 1.977887 0.334730
C -4.847412 -2.854808 0.329773
C 5.543949 0.147570 0.637397
C 4.714332 2.442538 0.571867
C 5.791085 1.522146 0.725494
H -2.978871 -1.222050 1.093311
H -2.264367 -1.737614 -1.849581
H 0.721589 1.962473 -0.033111
H -5.290103 0.583313 -0.352156
H -0.953936 3.005859 -0.974351
H -0.946036 -3.372876 -0.280202
H 2.514108 -3.341446 -0.000817
H -5.287590 3.061526 -0.847412
H -3.096872 4.263906 -1.149605
H 4.830430 -2.453007 0.427817
H 2.608117 2.709973 0.218282
H -4.767336 -2.753955 1.432583
H -4.195697 -3.677947 -0.006985
H -5.896577 -3.043099 0.050543
H 6.364050 -0.570885 0.752539
H 4.905112 3.519051 0.638732
H 6.805059 1.892382 0.910259


