%chk=000206419.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000206419

0 1
O 1.169508 -0.337579 1.719901
N -3.782631 0.203788 -0.023709
C 3.038722 0.225369 0.453802
C 1.482047 0.197863 0.409338
C 0.910933 -0.708769 -0.694539
C 3.621760 -1.060132 -0.171428
C 1.390177 -2.173860 -0.606340
C 2.739989 -2.273829 0.133279
C 3.694815 1.497045 -0.143527
C 0.821218 1.608283 0.346757
C 0.343250 -3.065928 0.073156
C 5.206839 1.501773 0.128485
C 3.425181 1.660856 -1.644303
C -0.612698 1.558567 0.436973
C -1.816437 1.518154 0.517647
C -3.259593 1.474522 0.591951
C -5.272074 0.279611 -0.199132
C -3.389071 -0.993125 0.794032
C -5.619560 1.218539 -1.355130
C -3.550135 -2.267603 -0.036129
H 3.294854 0.208935 1.550645
H 1.202655 -0.289300 -1.676466
H -0.196735 -0.673258 -0.684508
H 4.641344 -1.228343 0.222295
H 3.733088 -0.937098 -1.266718
H 1.532679 -2.542264 -1.652537
H 3.256047 -3.208855 -0.142027
H 2.561042 -2.325391 1.228586
H 3.266638 2.385494 0.388431
H 1.119726 2.120330 -0.600621
H 1.227399 2.226441 1.181663
H 0.166259 -2.751553 1.108492
H -0.616205 -3.032509 -0.453541
H 0.669774 -4.110623 0.100584
H 5.727969 0.726354 -0.443050
H 5.652716 2.462785 -0.149640
H 5.426045 1.332686 1.188199
H 3.732217 0.770478 -2.206949
H 3.971649 2.514808 -2.057457
H 2.357235 1.823286 -1.842177
H 0.218576 -0.540482 1.794689
H -3.591985 1.617059 1.649605
H -3.678304 2.334669 0.006842
H -5.801745 0.595109 0.725408
H -5.640397 -0.743642 -0.441837
H -3.962023 -1.076193 1.742348
H -2.317949 -0.881765 1.078100
H -5.416884 2.267287 -1.112071
H -5.022253 0.975718 -2.245755
H -6.676601 1.134150 -1.626201
H -4.602440 -2.500145 -0.234679
H -3.058045 -2.159376 -1.013189
H -3.105487 -3.127737 0.474250


%chk=000206419-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000206419

0 1
O 1.047996 -0.265981 1.658990
N -3.943154 0.205532 -0.085895
C 3.071167 0.297438 0.465220
C 1.506962 0.228774 0.325986
C 1.065828 -0.764410 -0.776773
C 3.726403 -1.070110 0.093354
C 1.541267 -2.233534 -0.529064
C 2.799109 -2.269052 0.383566
C 3.781724 1.503368 -0.241719
C 0.841386 1.634388 0.119875
C 0.415471 -3.126432 0.041643
C 5.250798 1.617181 0.241623
C 3.746402 1.487565 -1.792416
C -0.626293 1.573358 0.248836
C -1.849441 1.464485 0.387213
C -3.313630 1.396901 0.558372
C -5.428510 0.288987 -0.016152
C -3.416053 -1.066724 0.484694
C -6.025279 1.412820 -0.885374
C -3.744246 -2.302877 -0.372637
H 3.220404 0.453380 1.553776
H 1.471227 -0.400609 -1.741186
H -0.037331 -0.735976 -0.875584
H 4.675289 -1.179434 0.650816
H 3.991818 -1.084110 -0.983204
H 1.831789 -2.649651 -1.517206
H 3.343431 -3.221128 0.225496
H 2.481060 -2.236378 1.441597
H 3.271059 2.429945 0.091676
H 1.115522 2.051402 -0.866944
H 1.237297 2.322943 0.891949
H 0.078173 -2.736618 1.020029
H -0.456731 -3.165418 -0.639192
H 0.771841 -4.163107 0.195543
H 5.856933 0.759756 -0.103631
H 5.721558 2.537556 -0.152195
H 5.308641 1.650381 1.345901
H 4.316303 0.633686 -2.202597
H 4.209744 2.410301 -2.189101
H 2.720120 1.430661 -2.197430
H 0.055018 -0.192600 1.670393
H -3.550053 1.440283 1.655694
H -3.755751 2.303125 0.105611
H -5.780232 0.403407 1.043928
H -5.825983 -0.674621 -0.378946
H -3.777659 -1.223270 1.535090
H -2.316684 -0.962383 0.536256
H -5.788075 2.421852 -0.502672
H -5.641897 1.335584 -1.917789
H -7.127004 1.324918 -0.912153
H -4.822261 -2.544491 -0.378549
H -3.422352 -2.133759 -1.415159
H -3.210027 -3.186704 0.022238


