%chk=000191813.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000191813

0 1
O -0.891221 -0.320058 -2.496399
O -0.210003 -0.422367 2.086472
O -0.591873 -3.152077 -0.044755
O 1.577937 -3.652829 0.153313
N -0.242521 -0.537695 -0.260176
N 5.716018 2.739829 0.328852
C 0.956163 -1.359349 -0.504132
C 2.199886 -0.809846 0.217234
C 2.700952 0.486884 -0.425689
C 3.948332 1.008777 0.296931
C -1.117370 -0.115361 -1.333862
C -0.750145 -0.170666 1.043197
C -2.243037 0.600782 -0.650166
C -2.025480 0.570053 0.755877
C 0.738244 -2.818783 -0.083066
C 4.443060 2.321896 -0.330896
C -3.351149 1.218013 -1.189107
C -2.915503 1.156833 1.629024
C -4.267239 1.821672 -0.294437
C -4.054885 1.791933 1.078764
H 1.135589 -1.376368 -1.625062
H 1.977483 -0.648022 1.295343
H 3.000708 -1.582507 0.197250
H 1.901094 1.253086 -0.403587
H 2.930043 0.317239 -1.496739
H 4.762600 0.255155 0.256649
H 3.734387 1.155616 1.373143
H 4.664941 2.164791 -1.411122
H 3.646596 3.094993 -0.277029
H -3.522357 1.242160 -2.266311
H -2.753625 1.134171 2.707770
H -5.152580 2.314966 -0.699669
H -4.773362 2.261965 1.752790
H 5.582092 2.857962 1.328256
H 6.024459 3.635145 -0.037259
H -0.735533 -4.104192 0.215997


%chk=000191813-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000191813

0 1
O -0.665226 -0.127111 -2.492220
O -0.423307 -0.791016 2.162339
O -0.648432 -3.248283 0.026093
O 1.601008 -3.715731 0.362362
N -0.240081 -0.619041 -0.204592
N 5.603589 2.879340 0.248222
C 0.944775 -1.458898 -0.410407
C 2.232484 -0.871530 0.220361
C 2.643370 0.477281 -0.406345
C 3.940040 1.034706 0.219598
C -0.974756 -0.032066 -1.279447
C -0.846636 -0.364945 1.059993
C -2.125232 0.677737 -0.637368
C -2.047627 0.480405 0.763226
C 0.704978 -2.904905 0.053008
C 4.359998 2.391817 -0.381447
C -3.158931 1.429257 -1.215446
C -3.001504 1.029092 1.632846
C -4.129412 1.989026 -0.343851
C -4.051601 1.792300 1.058428
H 1.072864 -1.503040 -1.513882
H 2.081742 -0.762892 1.310070
H 3.035517 -1.618030 0.081459
H 1.825609 1.216396 -0.279573
H 2.785242 0.352385 -1.500090
H 4.774473 0.320689 0.081763
H 3.798074 1.148413 1.315556
H 4.554985 2.260245 -1.463641
H 3.498607 3.101536 -0.295790
H -3.209895 1.572109 -2.299298
H -2.933005 0.868796 2.713343
H -4.952563 2.580942 -0.758019
H -4.815576 2.235871 1.705844
H 5.524583 3.027965 1.259581
H 6.036553 3.679077 -0.223199
H -0.752005 -4.194098 0.317922


