%chk=000235592.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000235592

0 1
S 0.952782 -4.225353 0.028368
S 4.724818 2.669347 0.156297
O 0.657998 -4.514577 -1.605031
O 4.998827 2.810077 -1.501508
O 2.286757 -4.683346 0.296134
O -0.184170 -4.809395 0.685958
O 4.495033 3.999340 0.643007
O 5.831853 1.882097 0.630192
O -3.058547 -1.515697 -0.414876
N -1.637952 0.247628 0.022447
C 0.827395 0.327933 0.070696
C 2.069104 -0.361521 0.089021
C -0.395041 -0.452803 0.039904
C 0.920052 -2.495458 0.047991
C 2.096334 -1.791278 0.073616
C 3.289786 0.385270 0.117492
C -0.334805 -1.837027 0.034283
C 3.264316 1.758211 0.128140
C 0.839743 1.758557 0.085028
C 2.022880 2.454232 0.112510
C -2.910752 -0.328454 -0.223865
C -4.012838 0.684816 -0.202432
C -4.994452 0.593856 0.792758
C -4.085360 1.676948 -1.189004
C -6.046736 1.514109 0.807343
C -5.142916 2.589940 -1.170083
C -6.120327 2.510643 -0.171416
H 3.067891 -2.304049 0.086869
H 4.240927 -0.165299 0.137062
H -1.261639 -2.437931 0.021835
H -0.105818 2.303298 0.071820
H 2.026418 3.551633 0.129474
H -1.587280 1.258208 0.188576
H -4.941842 -0.195557 1.544749
H -3.332383 1.728527 -1.975371
H 0.039786 -5.236506 -1.803424
H 5.911005 2.980383 -1.777596
H -6.813400 1.449112 1.579464
H -5.209048 3.361107 -1.937147
H -6.944294 3.224778 -0.159580


%chk=000235592-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000235592

0 1
S 0.945376 -4.356069 0.158502
S 4.866754 2.686272 0.011304
O 0.635616 -4.591460 -1.655922
O 4.994686 2.806136 -1.836935
O 2.447545 -4.836374 0.513186
O -0.322811 -4.944849 0.969293
O 4.614702 4.168319 0.608629
O 6.070000 1.759173 0.563507
O -3.184134 -1.519812 0.155902
N -1.638706 0.246862 0.022540
C 0.823672 0.317729 0.030535
C 2.089574 -0.392718 0.047357
C -0.412563 -0.451096 0.048061
C 0.902452 -2.478737 0.092077
C 2.120528 -1.822816 0.072689
C 3.318377 0.343646 0.029813
C -0.364396 -1.857829 0.083360
C 3.259856 1.726291 0.005636
C 0.851811 1.752873 0.012388
C 2.051322 2.465666 -0.003347
C -2.944400 -0.282513 0.037871
C -4.042063 0.739448 -0.070215
C -5.314983 0.376823 0.441335
C -3.873934 2.011772 -0.680866
C -6.393669 1.281037 0.372784
C -4.957399 2.913732 -0.753483
C -6.216638 2.554146 -0.219587
H 3.066494 -2.373033 0.090181
H 4.278947 -0.182323 0.050512
H -1.290480 -2.436855 0.120639
H -0.071214 2.342338 0.013692
H 2.074035 3.559181 -0.003540
H -1.586377 1.265143 0.026920
H -5.433457 -0.618227 0.882055
H -2.923964 2.293386 -1.153667
H 0.428791 -5.560303 -1.803430
H 5.825357 3.322116 -2.054092
H -7.370434 0.995457 0.776992
H -4.824494 3.887289 -1.237077
H -7.055672 3.255979 -0.275898


