%chk=000182329.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000182329

0 1
O -2.015559 -2.593706 -0.029895
N -1.465884 -0.762505 -1.357781
C -1.749952 0.710540 -1.364339
C -0.176302 -1.259275 -1.873950
C -2.886218 0.837776 -0.376877
C -3.141237 -0.422642 0.221217
C -2.181384 -1.429277 -0.322516
C 0.990703 -0.877903 -0.990902
C -3.637777 1.950200 -0.034245
C 1.897421 0.078465 -1.382244
C -4.143095 -0.581074 1.165378
C 2.998387 0.421812 -0.534996
C 1.136221 -1.537230 0.270085
C 3.142238 -0.232416 0.715998
C 2.181221 -1.223040 1.098714
C -4.654040 1.789083 0.925778
C -4.904248 0.548197 1.515815
C 3.959002 1.411004 -0.919472
C 4.242991 0.113117 1.562337
C 5.005422 1.722915 -0.087869
C 5.149410 1.065963 1.169270
H -2.044539 1.026210 -2.387805
H -0.862040 1.306268 -1.060353
H -0.042392 -0.883560 -2.913424
H -0.249008 -2.375706 -1.947963
H -3.454475 2.921086 -0.486187
H 1.802980 0.587265 -2.339544
H -4.332191 -1.553955 1.620586
H 0.395240 -2.291305 0.553239
H 2.298920 -1.721445 2.060545
H -5.255344 2.652970 1.211537
H -5.697368 0.449683 2.255712
H 3.842936 1.906501 -1.881679
H 4.344848 -0.394967 2.520233
H 5.741143 2.473429 -0.372515
H 5.990070 1.334823 1.806712


%chk=000182329-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000182329

0 1
O -2.380546 -2.667864 -0.519530
N -1.416744 -0.544536 -0.970178
C -1.726423 0.886081 -0.785325
C -0.182638 -1.031595 -1.594232
C -3.092908 0.845005 -0.118505
C -3.487202 -0.503922 0.048883
C -2.419727 -1.402882 -0.487278
C 1.071783 -0.672437 -0.803892
C -3.929516 1.891388 0.309228
C 2.130780 0.020991 -1.395940
C -4.716043 -0.847635 0.643701
C 3.319879 0.341939 -0.659445
C 1.173695 -1.068880 0.573722
C 3.415352 -0.062518 0.728727
C 2.314490 -0.771982 1.316994
C -5.169791 1.555760 0.908161
C -5.560521 0.201397 1.074411
C 4.416708 1.050696 -1.252117
C 4.602055 0.256076 1.467392
C 5.561373 1.348038 -0.507898
C 5.655392 0.947448 0.863297
H -1.750407 1.416710 -1.759408
H -0.961999 1.380124 -0.152740
H -0.102493 -0.641535 -2.628699
H -0.302774 -2.131297 -1.654554
H -3.638507 2.940892 0.187723
H 2.062949 0.329785 -2.447765
H -4.994479 -1.900046 0.760622
H 0.340659 -1.616952 1.028956
H 2.386337 -1.083856 2.365948
H -5.838567 2.354061 1.249190
H -6.524849 -0.028232 1.540616
H 4.345918 1.355960 -2.303239
H 4.671802 -0.052984 2.517322
H 6.394256 1.888500 -0.971015
H 6.558807 1.185603 1.435463


