%chk=000217737.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217737

0 1
S 3.814456 1.739294 -0.812791
O 4.129995 1.778015 -2.227438
O 4.694207 2.410396 0.127890
N 1.590098 0.504960 0.951313
N -2.633419 0.743535 -1.144922
N -4.855008 2.120617 0.116081
N -0.504712 0.547989 -0.080338
N -1.959690 -1.401520 -0.343912
N 1.334105 -2.487044 1.004700
C 2.958533 -0.079650 1.009963
C 1.621763 1.990251 0.766241
C 3.684518 0.046153 -0.327051
C 2.186975 2.386155 -0.595082
C 0.500546 -0.209525 0.436625
C -2.604355 2.219528 -0.925170
C -4.033697 0.240997 -1.282538
C -3.456202 2.619091 0.297882
C -4.891781 0.635598 -0.063550
C -1.703130 -0.060089 -0.471617
C 0.332822 -1.658754 0.535106
C -0.939610 -2.183271 0.136407
C -1.156850 -3.603912 0.253563
C 1.101661 -3.789487 1.095422
C -0.149947 -4.395238 0.728000
H 2.919747 -1.150105 1.334075
H 3.518649 0.453023 1.817939
H 2.237450 2.417064 1.594623
H 0.593650 2.407851 0.892146
H 4.688539 -0.423343 -0.248602
H 3.185090 -0.572058 -1.102624
H 1.495721 2.055212 -1.402961
H 2.179611 3.491103 -0.698626
H -3.014641 2.690394 -1.849330
H -1.558674 2.578803 -0.809056
H -4.039931 -0.863772 -1.423883
H -4.448584 0.696049 -2.211761
H -2.972949 2.249123 1.228027
H -3.502628 3.727836 0.370669
H -5.949923 0.346112 -0.246825
H -4.549452 0.072782 0.832204
H -5.414315 2.375758 0.938138
H -2.128712 -4.000612 -0.047007
H 1.917737 -4.417370 1.471413
H -0.267664 -5.472741 0.833856


%chk=000217737-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000217737

0 1
S 4.084877 1.864605 -0.778775
O 4.635684 2.065800 -2.304165
O 4.841797 2.534217 0.516873
N 1.684334 0.425154 0.742249
N -2.788038 0.690594 -0.601114
N -5.088072 2.306493 -0.228824
N -0.538958 0.471728 0.055825
N -1.986365 -1.482820 -0.196081
N 1.428244 -2.560816 0.903791
C 3.031411 -0.170970 0.902527
C 1.671313 1.905334 0.673158
C 3.879296 -0.026106 -0.370634
C 2.229436 2.426430 -0.660114
C 0.525669 -0.278171 0.430487
C -2.670395 2.160157 -0.671701
C -4.122210 0.158351 -0.951294
C -3.766851 2.816165 0.196871
C -5.200769 0.838288 -0.081132
C -1.748313 -0.138939 -0.232333
C 0.391132 -1.741737 0.513339
C -0.918054 -2.266113 0.173995
C -1.091435 -3.689089 0.247075
C 1.223969 -3.893075 0.967994
C -0.026972 -4.499965 0.643022
H 2.909207 -1.245837 1.129337
H 3.544862 0.331280 1.743714
H 2.282664 2.301871 1.505560
H 0.631661 2.250483 0.783446
H 4.915078 -0.377071 -0.238344
H 3.417673 -0.456633 -1.273026
H 1.738667 1.999752 -1.547855
H 2.284956 3.525484 -0.712080
H -2.807973 2.483250 -1.723332
H -1.664580 2.445872 -0.332093
H -4.105943 -0.930895 -0.800168
H -4.328430 0.381231 -2.017391
H -3.540832 2.598174 1.270517
H -3.736982 3.911620 0.053196
H -6.200190 0.515597 -0.424781
H -5.067418 0.496150 0.974900
H -5.872067 2.816017 0.195560
H -2.072928 -4.096771 -0.012173
H 2.077718 -4.502574 1.283632
H -0.135874 -5.587319 0.707542


