%chk=000267718.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000267718

0 1
S 2.723970 3.200669 0.853272
O 3.312353 4.392587 0.266830
O 2.602380 3.097080 2.280467
O 2.658289 0.201903 0.949956
N 3.907397 2.004658 0.327502
N -2.360637 2.084724 -1.972060
N 4.827602 -0.195095 0.186376
N -3.238935 0.232353 -0.790482
N -4.464836 1.268382 -2.656794
N -3.755375 -1.523581 0.674746
N -5.461500 -0.746650 -0.887693
C 1.275944 2.811159 0.049919
C -1.141610 2.245801 -1.254087
C 0.425195 1.804651 0.532011
C 0.912620 3.527641 -1.102078
C -0.777671 1.518773 -0.110680
C -0.279009 3.257590 -1.758772
C 3.724439 0.620770 0.528588
C 4.848098 -1.626223 0.265740
C -3.399908 1.139681 -1.741222
C 3.736659 -2.378805 0.680310
C 6.050680 -2.266691 -0.101704
C -4.185210 -0.697078 -0.340926
C -4.642879 -2.438812 1.155337
C -6.333108 -1.669544 -0.389075
C -5.951741 -2.541672 0.643276
C 3.834939 -3.770030 0.723250
C 6.123886 -3.659185 -0.049881
C 5.021625 -4.415645 0.360269
C -4.163961 -3.327146 2.251815
C -7.700172 -1.714713 -0.983034
H 0.710260 1.221705 1.422275
H 1.574932 4.315523 -1.484806
H -1.416848 0.711873 0.282969
H -0.541714 3.824210 -2.648007
H 4.789849 2.354542 -0.065699
H -2.430558 2.624020 -2.842388
H 5.695276 0.245492 -0.122568
H 2.803078 -1.883629 0.969923
H 6.915910 -1.693186 -0.421168
H -6.643820 -3.276282 1.037530
H 2.973301 -4.356073 1.044675
H 7.050551 -4.158374 -0.332039
H 5.086866 -5.499952 0.397856
H -4.678932 2.163273 -3.068866
H -5.293249 0.683613 -2.486193
H -3.115597 -3.112416 2.527853
H -4.769400 -3.202614 3.161244
H -4.210959 -4.385864 1.958844
H -8.470753 -1.525239 -0.220804
H -7.837770 -0.967096 -1.779573
H -7.908245 -2.701378 -1.423833


%chk=000267718-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000267718

0 1
S 2.776943 3.015705 0.906210
O 3.364694 4.402859 0.287690
O 2.649219 2.800531 2.501335
O 2.923119 -0.091296 0.940642
N 4.023904 1.826447 0.201437
N -2.503992 1.943513 -1.872011
N 5.159157 -0.220168 0.171648
N -3.539532 0.294244 -0.534048
N -4.642861 1.170195 -2.478842
N -4.338308 -1.320747 0.947138
N -5.732651 -0.644815 -0.943812
C 1.163148 2.604926 0.056814
C -1.282601 2.118967 -1.179351
C 0.313400 1.636496 0.614860
C 0.848312 3.346932 -1.094658
C -0.925716 1.390924 -0.007918
C -0.387461 3.093815 -1.712812
C 3.969427 0.449727 0.482305
C 5.401249 -1.625318 0.198487
C -3.587014 1.096702 -1.597381
C 4.433112 -2.574877 0.620632
C 6.686235 -2.066689 -0.220326
C -4.565608 -0.567982 -0.185639
C -5.318594 -2.183512 1.337634
C -6.710665 -1.513515 -0.542711
C -6.534708 -2.309251 0.610151
C 4.766428 -3.946645 0.613344
C 7.002323 -3.439983 -0.217361
C 6.042506 -4.391784 0.198806
C -5.053490 -3.001458 2.581600
C -7.969540 -1.582740 -1.379337
H 0.613314 1.080356 1.506591
H 1.537050 4.107684 -1.474203
H -1.630088 0.651806 0.380199
H -0.663781 3.661162 -2.610648
H 4.847876 2.334652 -0.141023
H -2.611319 2.535616 -2.697862
H 5.954710 0.349748 -0.122872
H 3.450770 -2.231054 0.948690
H 7.437381 -1.335352 -0.547617
H -7.314037 -3.004362 0.935017
H 4.015113 -4.674119 0.940798
H 7.997435 -3.764611 -0.541086
H 6.286616 -5.459262 0.201202
H -4.661218 1.789112 -3.287643
H -5.425259 0.516828 -2.216521
H -4.062724 -2.745764 2.985964
H -5.818640 -2.806685 3.356026
H -5.081635 -4.084309 2.358442
H -8.861859 -1.345726 -0.771572
H -7.914229 -0.869036 -2.216288
H -8.114214 -2.598188 -1.791719


