%chk=000117942.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000117942

0 1
N 2.552186 -1.240918 -0.528032
C -3.132596 -0.921411 0.439450
C -3.571889 1.650786 -0.249703
C -3.584202 0.517156 0.813842
C -1.632615 -0.987334 0.149566
C -3.379615 -1.827981 1.674855
C -3.981637 -1.474443 -0.717000
C -3.724400 2.989617 0.516367
C -4.761614 1.522528 -1.222035
C -2.263552 1.696224 -1.052195
C -0.728240 -0.396746 1.051278
C -1.109260 -1.661202 -0.962938
C 0.648256 -0.456394 0.850253
C 0.265935 -1.727775 -1.190910
C 1.155608 -1.114649 -0.286393
C 3.549522 -0.311253 -0.150929
C 4.888283 -0.767893 -0.109252
C 3.257377 1.038113 0.134645
C 5.904967 0.120582 0.234554
C 4.293358 1.905151 0.480873
C 5.616546 1.456133 0.536382
H -2.962264 0.850378 1.670026
H -4.614940 0.450865 1.216109
H -2.852737 -1.464339 2.561797
H -3.028220 -2.848246 1.486807
H -4.443059 -1.887268 1.923325
H -3.734181 -2.515730 -0.945477
H -5.048106 -1.444085 -0.466219
H -3.850320 -0.879543 -1.631579
H -3.759802 3.837790 -0.174346
H -4.643666 3.013508 1.107946
H -2.884557 3.162703 1.195315
H -4.649092 0.649481 -1.876997
H -4.841612 2.402050 -1.868506
H -5.710640 1.417779 -0.689594
H -2.131240 0.797394 -1.664010
H -1.389904 1.767085 -0.395477
H -2.238132 2.556473 -1.727852
H -1.109782 0.121066 1.933460
H -1.773933 -2.147276 -1.677626
H 1.325105 -0.014369 1.579471
H 0.640723 -2.245979 -2.069456
H 2.854179 -2.063535 -1.044744
H 5.125825 -1.803500 -0.332821
H 2.237885 1.410507 0.064025
H 6.935871 -0.231641 0.270713
H 4.066024 2.947702 0.704089
H 6.415358 2.139741 0.807945


%chk=000117942-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000117942

0 1
N 2.641161 -1.123444 -0.563453
C -3.122168 -0.915471 0.433759
C -3.795213 1.659642 -0.326242
C -3.643076 0.534322 0.759879
C -1.601742 -0.937667 0.137794
C -3.356607 -1.762618 1.729903
C -3.945496 -1.583608 -0.696382
C -3.910333 3.003874 0.452852
C -5.100363 1.493458 -1.156735
C -2.580722 1.755252 -1.286008
C -0.679745 -0.355413 1.049896
C -1.045611 -1.580950 -0.997227
C 0.712519 -0.388164 0.844265
C 0.344758 -1.614359 -1.227544
C 1.251946 -1.013520 -0.313941
C 3.702162 -0.306370 -0.113960
C 5.024486 -0.837255 -0.156260
C 3.520157 1.036639 0.323571
C 6.127871 -0.051143 0.230069
C 4.632881 1.808872 0.718325
C 5.943061 1.277782 0.679912
H -2.983643 0.938723 1.554516
H -4.640080 0.414471 1.235769
H -2.855148 -1.311281 2.605270
H -2.958422 -2.785912 1.603202
H -4.437766 -1.834037 1.955699
H -3.701050 -2.659409 -0.778620
H -5.024380 -1.503196 -0.472587
H -3.768416 -1.118450 -1.681542
H -4.103841 3.844257 -0.240359
H -4.739282 2.970274 1.186004
H -2.976726 3.224709 1.004339
H -5.085437 0.592068 -1.790900
H -5.240309 2.367147 -1.821998
H -5.984926 1.429377 -0.493849
H -2.475220 0.851643 -1.911492
H -1.634760 1.882596 -0.729431
H -2.702367 2.623724 -1.962123
H -1.049024 0.128169 1.962154
H -1.699961 -2.058850 -1.732842
H 1.379943 0.034999 1.600244
H 0.733332 -2.103279 -2.130423
H 2.914976 -1.900181 -1.167373
H 5.179083 -1.872628 -0.486486
H 2.523356 1.485655 0.318494
H 7.134997 -0.481515 0.187890
H 4.472191 2.842674 1.045711
H 6.800156 1.885694 0.987260


