%chk=000224082.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000224082

0 1
O 5.699837 1.114945 -0.000121
O 4.227975 2.699820 -0.000115
N -0.917047 1.283711 0.000229
N 4.548905 1.523901 -0.000156
C 1.474514 -1.410585 -0.000011
C 0.220957 -2.187087 0.000051
C 1.141627 -0.016500 0.000040
C -0.878202 -1.269363 0.000140
C -0.348341 0.134135 0.000157
C 2.123478 0.953909 -0.000008
C 2.798505 -1.823090 -0.000110
C 0.002481 -3.553369 0.000034
C -2.180888 -1.729266 0.000215
C 3.468131 0.514252 -0.000106
C 3.806023 -0.844153 -0.000158
C -1.330067 -4.016031 0.000108
C -2.398431 -3.123767 0.000197
C -2.326536 1.506574 0.000266
C -3.002186 1.675284 1.223189
C -3.002501 1.674179 -1.222636
C -4.355225 2.018342 1.211595
C -4.355534 2.017261 -1.211005
C -5.034676 2.186505 0.000306
H 1.880789 2.024684 0.000036
H 3.061026 -2.879895 -0.000153
H 0.829838 -4.259894 -0.000037
H -3.027647 -1.041003 0.000293
H 4.862694 -1.139387 -0.000237
H -1.518199 -5.090192 0.000093
H -3.422034 -3.499750 0.000259
H -2.469195 1.555632 2.164370
H -2.469755 1.553684 -2.163847
H -4.883434 2.157585 2.154746
H -4.883983 2.155663 -2.154145
H -6.088896 2.455068 0.000321


%chk=000224082-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000224082

0 1
O 5.805122 1.093240 -0.000018
O 4.256360 2.768618 0.000503
N -0.895281 1.322325 0.000701
N 4.584119 1.519168 0.000097
C 1.475602 -1.412682 -0.000184
C 0.209513 -2.175052 -0.000191
C 1.157844 -0.019792 0.000155
C -0.886227 -1.251163 0.000099
C -0.329109 0.145484 0.000343
C 2.152535 0.963887 0.000247
C 2.820896 -1.834640 -0.000425
C -0.020908 -3.563266 -0.000387
C -2.215358 -1.716479 0.000244
C 3.495125 0.514237 -0.000015
C 3.841459 -0.859036 -0.000333
C -1.359531 -4.028170 -0.000267
C -2.443255 -3.115977 0.000061
C -2.303489 1.536741 0.000591
C -2.999437 1.700971 1.228863
C -2.999774 1.698138 -1.227875
C -4.379824 1.996001 1.221233
C -4.380137 1.993282 -1.220563
C -5.080109 2.140672 0.000262
H 1.914364 2.030101 0.000503
H 3.083230 -2.897173 -0.000688
H 0.810426 -4.276240 -0.000612
H -3.057712 -1.020355 0.000482
H 4.899331 -1.134473 -0.000514
H -1.560371 -5.104945 -0.000416
H -3.470186 -3.496121 0.000169
H -2.453015 1.602950 2.172615
H -2.453612 1.597953 -2.171555
H -4.907113 2.116900 2.174234
H -4.907661 2.112082 -2.173697
H -6.149816 2.374614 0.000139


