%chk=000281337.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000281337

0 1
S 3.087483 -1.430152 0.005068
S 5.080564 2.335785 -0.581991
O 3.557545 -1.519716 1.370109
O 3.471280 -2.403171 -0.992315
N 2.868075 1.927323 0.862335
N 3.616072 0.094142 -0.568334
N -2.868925 -1.256192 -0.053814
N -3.520894 -0.198302 -0.069548
N -5.939534 0.858492 2.061703
N -5.981193 0.620295 -2.265312
C 4.014710 1.132583 0.368104
C 2.532418 3.019191 -0.094796
C 3.813113 3.643570 -0.661265
C 1.352103 -1.326446 -0.012552
C 0.685155 -0.513241 0.905463
C 0.632397 -2.080124 -0.946976
C -0.711585 -0.434543 0.889035
C -0.761331 -2.023007 -0.975694
C -1.422787 -1.193583 -0.052076
C -5.022130 -0.397099 -0.048350
C -5.534597 0.314535 1.129267
C -5.557461 0.181926 -1.286761
H 4.597404 0.686515 1.223194
H 1.896152 3.777421 0.407839
H 1.915093 2.582309 -0.913042
H 3.061255 2.310880 1.797310
H 3.691150 3.975990 -1.706522
H 4.153459 4.516423 -0.076946
H 3.517441 0.371752 -1.549003
H 1.248231 0.076848 1.640397
H 1.164683 -2.727166 -1.658752
H -1.235700 0.207318 1.597947
H -1.327941 -2.614162 -1.696059
H -5.338306 -1.491795 0.014339


%chk=000281337-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000281337

0 1
S 3.098763 -1.380672 0.413015
S 5.265456 2.404919 -0.797451
O 3.398507 -1.216382 2.009012
O 3.596871 -2.675889 -0.442880
N 2.993050 2.016541 0.733849
N 3.771849 0.155980 -0.538953
N -2.911014 -1.016692 -0.489824
N -3.619564 -0.271051 0.297818
N -6.531335 -1.235388 1.927140
N -5.813534 2.110195 -0.937230
C 4.150673 1.252708 0.369221
C 2.535388 2.808725 -0.430658
C 3.765833 3.537928 -1.066272
C 1.231293 -1.226208 0.162249
C 0.495544 -0.451629 1.079229
C 0.665945 -1.924686 -0.915222
C -0.894853 -0.357700 0.895006
C -0.730457 -1.828182 -1.090333
C -1.501948 -1.042652 -0.196138
C -5.096176 -0.332907 -0.134444
C -5.901011 -0.815829 1.007554
C -5.510548 1.020061 -0.564335
H 4.746847 0.958355 1.249426
H 1.756952 3.525025 -0.119509
H 2.109029 2.111548 -1.169439
H 3.131904 2.566139 1.590464
H 3.628020 3.692599 -2.147166
H 3.982086 4.498039 -0.569687
H 4.578277 -0.224384 -1.073585
H 1.007465 0.053249 1.903163
H 1.295720 -2.532530 -1.572063
H -1.518519 0.230156 1.574675
H -1.239914 -2.347698 -1.907450
H -5.203201 -1.037088 -0.987178


