%chk=000196324.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000196324

0 1
S 0.327132 -3.389078 0.073013
P 3.872683 -0.651986 -0.018173
O 0.660133 1.496465 -1.066695
O 0.823005 4.492599 0.505121
O -1.342405 3.902840 -0.617050
O 3.428767 0.915010 0.079323
O -3.216661 1.166927 0.451304
O 2.432681 -1.362545 -0.353887
O 4.001377 -1.097963 1.570848
O -2.644350 -3.353814 0.865592
O 5.043273 -0.946914 -0.841325
N -1.194732 0.288080 -0.260756
N -2.927221 -1.109309 0.674127
C 0.497061 3.136050 0.710906
C -0.928046 2.794331 0.183518
C 1.462725 2.214734 -0.079874
C -0.731914 1.618486 -0.812435
C 2.206885 1.212684 0.807753
C -0.379871 -0.841014 -0.414243
C -2.517064 0.180621 0.302548
C -0.791913 -2.060631 0.022001
C -2.120939 -2.312101 0.550831
C -0.404359 -4.605560 -1.041521
H 0.581691 3.013864 1.813677
H -1.660110 2.594525 0.993264
H 2.184291 2.788600 -0.714010
H -1.211218 1.794418 -1.807755
H 1.600355 0.314173 1.031478
H 2.551928 1.682524 1.753994
H 0.420527 4.829243 -0.346397
H -2.220574 4.232810 -0.311884
H 0.613903 -0.667312 -0.891660
H -3.879128 -1.202147 1.061976
H 2.389158 -2.367257 -0.440039
H 4.893532 -1.346477 1.912312
H -0.451028 -4.251984 -2.075833
H -1.420795 -4.875320 -0.712800
H 0.213221 -5.512471 -1.005047


%chk=000196324-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000196324

0 1
S 0.055463 -3.563037 0.287822
P 3.948451 -0.783592 0.048845
O 0.752057 1.404666 -0.989196
O 0.484629 4.475822 -0.425100
O -1.711456 3.499250 0.655187
O 3.604245 0.883400 -0.131476
O -3.306063 1.344464 0.024780
O 2.377840 -1.404355 -0.136716
O 4.145239 -1.047733 1.754198
O -3.134650 -3.320563 0.385980
O 5.135378 -1.286823 -0.861251
N -1.241011 0.273467 -0.291076
N -3.172340 -0.994556 0.150069
C 0.712808 3.348226 0.465946
C -0.610815 2.557315 0.651697
C 1.651716 2.348256 -0.245212
C -0.622292 1.613821 -0.590159
C 2.583968 1.577356 0.695186
C -0.480403 -0.887294 -0.258364
C -2.623431 0.270730 -0.036427
C -1.032737 -2.118541 0.024080
C -2.482339 -2.256835 0.204854
C -0.496121 -4.697908 -1.124931
H 1.116804 3.694618 1.438121
H -0.582319 1.952690 1.581715
H 2.248511 2.875734 -1.007265
H -1.203801 2.070888 -1.413827
H 2.035005 0.858768 1.331444
H 3.138287 2.288510 1.334615
H -0.458744 4.765303 -0.266732
H -2.547267 2.974635 0.464506
H 0.589763 -0.755047 -0.452864
H -4.184623 -1.027732 0.313716
H 2.151323 -2.366665 0.025621
H 5.091157 -1.104651 2.045658
H -0.274841 -4.227973 -2.093916
H -1.571259 -4.888627 -1.001058
H 0.075868 -5.630885 -1.006268


