%chk=000199210.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000199210

0 1
O -4.495602 -1.445050 0.956361
O 5.107476 -1.709462 0.080154
N -1.967168 -1.757431 -0.689080
N 1.406525 -0.307043 0.157989
C -0.890075 -0.721755 -0.627773
C 0.319244 -1.333223 0.108679
C -3.147743 -1.309859 -1.477349
C 2.600914 -0.816728 0.906600
C -3.881988 -0.122291 -0.903587
C 3.759723 0.124794 0.718466
C -4.564879 -0.219376 0.329014
C 5.022944 -0.351757 0.305549
C -3.916993 1.108780 -1.562473
C 3.631683 1.496557 0.957363
C -5.265397 0.855660 0.888980
C 6.125858 0.494163 0.135825
C -4.610894 2.199178 -1.020304
C 4.721701 2.360607 0.790426
C -5.281304 2.071395 0.197887
C 5.960517 1.860640 0.383286
H -0.607675 -0.444037 -1.666046
H -1.207161 0.218147 -0.124172
H 0.038180 -1.596043 1.151858
H 0.623594 -2.281754 -0.386638
H -3.846123 -2.181388 -1.531914
H -2.823555 -1.107336 -2.521995
H 2.894355 -1.852886 0.613584
H 2.329611 -0.859446 1.987915
H -2.275438 -1.994495 0.264938
H 1.688978 -0.058760 -0.798211
H -3.397220 1.224266 -2.514370
H 2.661243 1.890324 1.271444
H -5.783456 0.752845 1.836440
H 7.086432 0.102872 -0.180419
H -4.624349 3.147590 -1.552585
H 4.598949 3.424354 0.980146
H -5.820190 2.920866 0.616810
H 6.806505 2.535404 0.256263
H -5.012269 -1.458077 1.798323
H 6.012747 -1.978446 -0.208685


%chk=000199210-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000199210

0 1
O -4.333701 -1.242114 1.286467
O 5.470094 -1.704642 0.516591
N -2.067135 -1.790023 -0.652000
N 1.461718 -0.514581 -0.187943
C -0.948760 -0.825489 -0.704511
C 0.339148 -1.477379 -0.165942
C -3.310958 -1.373913 -1.340786
C 2.732178 -1.047290 0.351065
C -3.973265 -0.100492 -0.804552
C 3.798025 0.032711 0.481234
C -4.475897 -0.058131 0.524500
C 5.170680 -0.324070 0.560669
C -4.091912 1.074234 -1.582331
C 3.470852 1.407423 0.538857
C -5.080691 1.103451 1.054259
C 6.182617 0.655483 0.685148
C -4.693469 2.250016 -1.072627
C 4.470290 2.400594 0.666037
C -5.189935 2.260842 0.249446
C 5.829576 2.022723 0.737373
H -0.799138 -0.540188 -1.767275
H -1.132237 0.119167 -0.141193
H 0.179469 -1.786720 0.887905
H 0.534293 -2.409212 -0.749044
H -4.022086 -2.217355 -1.261389
H -3.083342 -1.233297 -2.414934
H 3.148192 -1.893432 -0.244323
H 2.517843 -1.469815 1.354759
H -2.276138 -2.079837 0.313604
H 1.598480 -0.121240 -1.130743
H -3.706562 1.061973 -2.609652
H 2.410351 1.674809 0.487088
H -5.463336 1.109288 2.083860
H 7.237491 0.354139 0.742714
H -4.772766 3.144644 -1.699062
H 4.189449 3.458321 0.710154
H -5.657877 3.162681 0.658972
H 6.613741 2.781691 0.834116
H -4.745836 -1.135281 2.179261
H 6.448255 -1.847891 0.552927


