%chk=000192800.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000192800

0 1
O 3.624933 0.858141 0.860920
O 4.340014 -2.262050 1.250255
O 5.377484 -1.335946 -0.838773
O 3.830112 2.801269 -1.527423
O -4.270311 0.060254 -1.779733
N 1.488324 -0.036693 1.305711
N -0.570316 0.781112 1.949505
N 0.851930 -0.807416 -1.006492
N -3.013831 0.618646 0.093927
N -1.516829 -0.420851 -1.496168
C 3.385357 -1.512853 0.524487
C 2.943369 -0.287109 1.377429
C 4.017902 -0.890509 -0.754638
C 4.110081 0.627465 -0.497235
C 3.278554 1.484471 -1.459163
C 0.619348 -0.240258 0.222512
C 0.699980 0.612677 2.320618
C -0.662962 0.260372 0.645631
C -1.751332 0.146732 -0.274632
C -0.254174 -0.862848 -1.797910
C -4.228300 0.564684 -0.691538
C -5.383970 1.211094 0.043878
C -6.663357 1.148649 -0.804739
C -7.842655 1.792366 -0.085766
H 2.566542 -2.237988 0.320914
H 3.258315 -0.351529 2.448024
H 3.463151 -1.161020 -1.675879
H 5.171595 0.976513 -0.457366
H 2.217909 1.536783 -1.153259
H 3.351368 1.129043 -2.505935
H 5.245095 -1.842662 1.171643
H 5.409109 -2.269518 -1.154336
H 1.135393 0.905186 3.268187
H 3.729470 3.253232 -0.659987
H -0.133546 -1.310971 -2.800720
H -3.051854 1.041570 1.034528
H -5.556934 0.707207 1.017992
H -5.148102 2.268658 0.286644
H -6.488061 1.647471 -1.780761
H -6.894110 0.091983 -1.054353
H -8.068320 1.291274 0.862654
H -8.749952 1.742134 -0.701432
H -7.660821 2.850636 0.134677


%chk=000192800-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000192800

0 1
O 3.458669 1.030695 0.659840
O 4.322480 -1.896364 1.635752
O 5.160040 -1.772860 -0.876592
O 4.648001 2.787251 -1.273583
O -4.456904 0.320294 -2.020706
N 1.304571 0.112227 1.208289
N -0.817716 0.750730 1.828220
N 0.839674 -0.461933 -1.183601
N -3.117978 0.686665 -0.108486
N -1.532366 -0.118471 -1.763488
C 3.298976 -1.392151 0.729184
C 2.757899 -0.073205 1.333525
C 3.955329 -0.964365 -0.622762
C 4.387817 0.495704 -0.383861
C 4.264567 1.413837 -1.601338
C 0.501919 -0.034280 0.066722
C 0.456802 0.594824 2.222383
C -0.801404 0.359482 0.476658
C -1.835761 0.300826 -0.500526
C -0.236760 -0.470687 -2.030581
C -4.338099 0.715809 -0.838033
C -5.493623 1.315273 -0.021380
C -6.874850 0.811061 -0.491863
C -8.032784 1.536751 0.223294
H 2.499345 -2.143847 0.592047
H 2.995610 -0.048294 2.411473
H 3.214147 -1.041551 -1.436777
H 5.416205 0.523893 0.023369
H 3.226158 1.365008 -1.992563
H 4.968819 1.089864 -2.386542
H 5.087108 -2.184421 1.058602
H 4.956934 -2.493467 -1.522433
H 0.831501 0.809661 3.221322
H 4.091205 3.076702 -0.505372
H -0.041958 -0.799302 -3.055585
H -3.161976 0.999149 0.868628
H -5.356939 1.112548 1.060133
H -5.447840 2.418504 -0.140674
H -6.945138 0.951731 -1.585393
H -6.943858 -0.279665 -0.316233
H -7.988785 1.390279 1.319349
H -9.010825 1.159986 -0.126271
H -8.002615 2.625505 0.027751


