%chk=000256357.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000256357

0 1
O -2.062458 -0.424969 0.144010
N 4.196795 0.517669 -0.002047
C -4.188379 0.506342 -0.121234
C -3.461337 -0.770470 0.302048
C -5.708942 0.335920 -0.037632
C 0.227012 -0.967314 0.309016
C -1.163061 -1.509311 0.488248
C 2.851898 0.029627 0.008846
C 0.475301 0.410699 0.377919
C 1.296697 -1.844707 0.085831
C 1.766357 0.909284 0.225839
C 2.593884 -1.359165 -0.062358
C -6.438194 1.609647 -0.458379
C 4.369145 1.953507 -0.361757
C 5.195224 -0.335638 -0.706539
H -3.879140 0.780647 -1.150043
H -3.851860 1.349808 0.514060
H -3.651981 -1.036563 1.355462
H -3.698671 -1.627612 -0.350536
H -6.002844 0.062190 0.994993
H -6.030996 -0.507192 -0.680378
H -1.367860 -2.364373 -0.181494
H -1.343886 -1.804004 1.539590
H -0.363056 1.093138 0.542164
H 1.120254 -2.917809 0.026216
H 1.927937 1.982547 0.289083
H 3.406998 -2.063190 -0.221264
H -6.170392 2.458414 0.181683
H -6.196694 1.890902 -1.490120
H -7.524873 1.482765 -0.398228
H 3.793298 2.579349 0.342917
H 4.051112 2.197968 -1.387001
H 5.428133 2.235416 -0.246079
H 5.205548 -1.341399 -0.250575
H 6.202708 0.088323 -0.566361
H 5.007019 -0.442849 -1.785902


%chk=000256357-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000256357

0 1
O -2.103003 -0.290715 -0.016742
N 4.300813 0.472777 -0.322481
C -4.388169 0.476053 -0.285797
C -3.491596 -0.588010 0.354232
C -5.882043 0.279316 0.062159
C 0.258364 -0.809359 0.288869
C -1.157213 -1.269070 0.553614
C 2.977902 0.052559 -0.126654
C 0.648388 0.529856 0.540995
C 1.246022 -1.704116 -0.185556
C 1.971466 0.960207 0.337885
C 2.579720 -1.296274 -0.388095
C -6.787260 1.348351 -0.587100
C 4.671609 1.869895 -0.075316
C 5.306307 -0.477787 -0.806806
H -4.247755 0.447330 -1.383570
H -4.050334 1.474907 0.052792
H -3.599210 -0.577576 1.464607
H -3.775754 -1.605053 -0.003502
H -6.010805 0.305865 1.163743
H -6.208648 -0.728943 -0.266033
H -1.331139 -2.273609 0.107474
H -1.354328 -1.350097 1.649211
H -0.108333 1.246314 0.879421
H 0.972857 -2.744070 -0.407356
H 2.222434 2.005837 0.538475
H 3.304799 -2.026388 -0.759041
H -6.503255 2.363618 -0.252032
H -6.700366 1.323479 -1.689570
H -7.850131 1.190495 -0.327094
H 4.495122 2.164400 0.980041
H 4.103087 2.571024 -0.721302
H 5.743553 2.008290 -0.288724
H 5.420984 -1.341296 -0.119365
H 6.283290 0.026014 -0.879765
H 5.053320 -0.876624 -1.811616


