%chk=000212954.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000212954

1 1
O 1.906656 -0.319321 0.999171
N -2.314546 -0.353557 -0.329862
C -1.122105 0.525411 -0.721649
C -0.486503 1.347954 0.427086
C -2.026715 -1.215275 0.912012
C -3.529988 0.503487 -0.044691
C -2.645879 -1.252885 -1.506326
C 0.964967 1.708527 0.035099
C -1.263309 2.626567 0.729491
C -0.831999 -2.132279 0.746070
C 1.844205 0.531853 -0.124038
C 2.675415 0.070355 -1.111091
C 3.314106 -1.120407 -0.600170
C 2.833998 -1.320436 0.664066
H -0.336817 -0.141812 -1.161374
H -1.436190 1.210527 -1.542346
H -0.436991 0.721724 1.357231
H -1.860975 -0.530870 1.781766
H -2.940811 -1.812451 1.144662
H -3.320340 1.247591 0.757978
H -3.844144 1.080259 -0.934805
H -4.398395 -0.100705 0.274665
H -1.800994 -1.924225 -1.755831
H -3.518140 -1.898846 -1.293044
H -2.882988 -0.670461 -2.415634
H 0.987159 2.325845 -0.890201
H 1.397747 2.373579 0.824597
H -0.769873 3.213453 1.521745
H -2.283384 2.431032 1.089056
H -1.337262 3.295014 -0.138452
H -0.706460 -2.757334 1.649471
H -0.921520 -2.834953 -0.092071
H 0.123697 -1.589123 0.634115
H 2.862723 0.498101 -2.078671
H 4.039309 -1.708756 -1.135292
H 2.995144 -2.021285 1.453867


%chk=000212954-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000212954

1 1
O 1.617697 -0.153022 1.330248
N -2.259785 -0.382924 -0.245855
C -1.233595 0.647297 -0.799320
C -0.587210 1.605147 0.237133
C -1.561800 -1.463110 0.635707
C -3.325133 0.303556 0.604485
C -2.954727 -1.041848 -1.436019
C 0.935447 1.766384 -0.081605
C -1.263842 2.996904 0.263637
C -0.653754 -2.438816 -0.117972
C 1.738322 0.511428 0.079851
C 2.681340 -0.149456 -0.691267
C 3.188762 -1.260570 0.092713
C 2.527791 -1.233830 1.305560
H -0.462560 0.036008 -1.298664
H -1.777029 1.221148 -1.571711
H -0.640198 1.158713 1.249481
H -0.983486 -0.912393 1.395736
H -2.383799 -2.000872 1.140878
H -2.865862 0.707852 1.517397
H -3.783768 1.117458 0.023617
H -4.092007 -0.438646 0.875042
H -2.200677 -1.406894 -2.146930
H -3.570108 -1.881803 -1.078142
H -3.595287 -0.294602 -1.929107
H 1.071378 2.141635 -1.113350
H 1.331300 2.554110 0.588979
H -0.793607 3.639131 1.028451
H -2.341689 2.947030 0.495780
H -1.151760 3.507298 -0.711205
H -0.220968 -3.126428 0.629576
H -1.195737 -3.061138 -0.848971
H 0.197195 -1.942469 -0.613151
H 3.006779 0.137866 -1.689768
H 3.954952 -1.972735 -0.206507
H 2.576222 -1.831111 2.211875


