%chk=000202787.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000202787

0 1
O 4.902145 1.444003 0.902070
O 1.507622 -2.761409 0.323780
N 2.656408 0.189769 -0.301468
N 0.542781 -0.920449 -0.637334
N -0.478803 -0.058745 -0.812886
C 3.807367 -0.628904 0.190703
C 3.096146 1.545515 -0.751509
C 1.835872 -0.523967 -1.310898
C 4.487564 0.131384 1.338371
C 3.796777 2.239141 0.429939
C 0.522323 -2.044575 0.257772
C -0.757063 -2.232846 0.978160
C -1.620361 -0.274646 -0.166979
C -1.786370 -1.373308 0.765530
C -2.742478 0.659678 -0.417009
C -0.815019 -3.368778 1.935463
C -4.001983 0.152334 -0.774914
C -2.551548 2.044057 -0.291250
C -5.065070 1.030506 -0.997338
C -3.621512 2.915131 -0.514743
C -4.877611 2.410878 -0.865568
H 4.547777 -0.854136 -0.605830
H 3.404599 -1.605188 0.560328
H 2.197236 2.127680 -1.051044
H 3.782648 1.507543 -1.624594
H 1.587312 0.110374 -2.195265
H 2.300822 -1.476588 -1.670718
H 3.820673 0.237438 2.212086
H 5.443634 -0.332347 1.637356
H 4.290136 3.179044 0.127433
H 3.099396 2.420451 1.267054
H -2.739581 -1.472240 1.286068
H -1.772604 -3.904115 1.889314
H -0.676896 -3.021610 2.971244
H -0.015364 -4.106103 1.741677
H -4.147096 -0.920613 -0.888386
H -1.569272 2.434519 -0.025071
H -6.041926 0.638828 -1.276831
H -3.474111 3.989619 -0.416331
H -5.709070 3.091774 -1.038683


%chk=000202787-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000202787

0 1
O 4.607242 1.621413 1.345184
O 1.642009 -2.811638 0.347427
N 2.798037 0.159149 -0.327868
N 0.628208 -0.938942 -0.641640
N -0.399043 -0.058830 -0.859844
C 4.085585 -0.446168 0.064829
C 2.791786 1.633031 -0.350470
C 1.947293 -0.540803 -1.257117
C 4.536212 0.148598 1.410591
C 3.282923 2.170187 1.006043
C 0.596331 -2.100027 0.185985
C -0.716343 -2.376213 0.786584
C -1.583974 -0.318049 -0.262361
C -1.758949 -1.492113 0.560306
C -2.676309 0.662349 -0.510034
C -0.830361 -3.622891 1.622321
C -3.820930 0.723146 0.331046
C -2.584869 1.575937 -1.597020
C -4.844632 1.664757 0.089619
C -3.606563 2.516050 -1.835731
C -4.744504 2.565258 -0.994842
H 4.879117 -0.255328 -0.697134
H 3.943121 -1.536361 0.171724
H 1.761751 1.990080 -0.535521
H 3.450760 2.032786 -1.159314
H 1.664285 0.075617 -2.130603
H 2.426676 -1.476867 -1.587189
H 3.821225 -0.155022 2.205156
H 5.554119 -0.182080 1.675177
H 3.414378 3.264761 0.980653
H 2.551446 1.896010 1.797003
H -2.742074 -1.700823 0.993598
H -1.850679 -3.757909 2.017866
H -0.115837 -3.587891 2.465380
H -0.549429 -4.512507 1.028958
H -3.912677 0.055440 1.194589
H -1.703879 1.531932 -2.244163
H -5.716066 1.699342 0.752843
H -3.520037 3.208695 -2.680354
H -5.539851 3.295026 -1.181977


