%chk=000179189.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179189

0 1
O 1.979564 0.070212 -1.901221
O -2.792403 0.040949 0.572434
N 2.245263 -1.916433 -0.809189
C 3.269476 0.842208 0.952117
C 3.738217 -0.038446 -0.244705
C 4.510830 1.224187 1.780372
C 2.591875 2.113635 0.418946
C 2.287769 0.053794 1.836128
C 2.574730 -0.569814 -1.050016
C 1.017022 -2.488961 -1.408318
C -0.155462 -2.357386 -0.460388
C -0.868171 -1.150615 -0.417309
C -0.513705 -3.425333 0.371062
C -1.943794 -1.052570 0.467879
C -1.597116 -3.296339 1.251340
C -2.323882 -2.110943 1.315153
C -2.417554 1.284178 0.045073
C -1.177546 1.873281 0.309539
C -3.436287 1.938815 -0.660628
C -0.956981 3.170660 -0.162501
C -3.190494 3.236238 -1.113109
C -1.955373 3.849923 -0.869158
H 4.399839 -0.846332 0.116953
H 4.370028 0.576494 -0.921557
H 5.254237 1.754364 1.176235
H 4.240477 1.886513 2.610463
H 5.000391 0.346672 2.213201
H 2.142398 2.700202 1.224765
H 1.800698 1.872571 -0.307488
H 3.302130 2.761974 -0.105135
H 1.361960 -0.194028 1.302601
H 1.997222 0.635329 2.718618
H 2.724038 -0.880842 2.199238
H 2.578508 -2.383412 0.028803
H 1.212873 -3.552232 -1.672444
H 0.800804 -1.959305 -2.372619
H -0.586575 -0.324152 -1.073478
H 0.039320 -4.359981 0.334206
H -1.873184 -4.133205 1.893527
H -3.169698 -1.987961 1.987281
H -0.411176 1.340463 0.868278
H -4.385409 1.438301 -0.837847
H 0.002178 3.654567 0.023168
H -3.964155 3.770957 -1.663792
H -1.771082 4.858603 -1.233176


%chk=000179189-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000179189

0 1
O 2.089158 0.002563 -1.924155
O -3.070017 -0.109893 0.289873
N 2.199532 -1.911391 -0.610434
C 3.454951 0.981646 0.890019
C 3.829004 -0.104861 -0.181496
C 4.757013 1.355256 1.648901
C 2.880635 2.247082 0.201848
C 2.422398 0.411001 1.897029
C 2.641461 -0.647386 -0.980010
C 1.048439 -2.567611 -1.265482
C -0.240770 -2.486364 -0.450785
C -1.003640 -1.290621 -0.461326
C -0.680211 -3.594103 0.314785
C -2.188684 -1.216972 0.304734
C -1.870098 -3.505415 1.075021
C -2.628344 -2.317764 1.077237
C -2.628336 1.202689 -0.023597
C -1.412667 1.738510 0.459828
C -3.532107 1.995741 -0.763500
C -1.097704 3.085856 0.175358
C -3.207813 3.343436 -1.032525
C -1.988966 3.892696 -0.569412
H 4.365483 -0.931629 0.326207
H 4.527325 0.350064 -0.908559
H 5.527680 1.736623 0.952755
H 4.556114 2.144886 2.396881
H 5.178000 0.481366 2.182118
H 2.601731 2.999132 0.965228
H 1.994236 2.007266 -0.409489
H 3.630187 2.704161 -0.470741
H 1.470309 0.150400 1.399548
H 2.203532 1.154983 2.685641
H 2.806902 -0.500671 2.394954
H 2.616112 -2.361949 0.205847
H 1.309376 -3.625041 -1.456057
H 0.925851 -2.055525 -2.235860
H -0.675124 -0.446783 -1.077456
H -0.099656 -4.524618 0.310425
H -2.210694 -4.363730 1.664351
H -3.555953 -2.226004 1.649810
H -0.729625 1.120905 1.051097
H -4.467769 1.548532 -1.112184
H -0.153194 3.503153 0.541300
H -3.905780 3.961271 -1.608107
H -1.736476 4.935914 -0.786317


