%chk=000291252.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000291252

0 1
S -0.009484 1.390985 -0.445200
O -1.662847 3.519337 -1.085421
O -3.214242 2.052428 -1.786633
O -1.775406 -0.522199 2.210450
N -2.417297 0.183380 0.120229
C 0.731091 -0.051233 0.411705
C -1.762615 1.488248 0.144683
C 0.425342 -1.336243 -0.304553
C 2.190138 0.303826 0.471350
C -1.846136 2.215513 1.465414
C -2.334626 2.334737 -1.008303
C 0.318714 -2.509754 0.463554
C 2.694116 0.905673 1.637845
C 0.244159 -1.406311 -1.693012
C 3.053853 0.058517 -0.606500
C -2.384068 -0.745571 1.178515
C 0.031194 -3.730537 -0.149613
C 4.043387 1.255186 1.720316
C -0.048389 -2.631112 -2.301504
C 4.403768 0.410868 -0.517993
C -0.156559 -3.794133 -1.534347
C 4.901443 1.008936 0.643057
C -3.134035 -2.014261 0.901632
H 0.294484 -0.094484 1.452425
H -2.885291 2.383683 1.781072
H -1.368858 1.638682 2.280531
H -1.344607 3.195307 1.420730
H -2.866968 -0.074266 -0.768117
H 0.461774 -2.467566 1.544202
H 2.032433 1.105701 2.479895
H 0.326857 -0.510989 -2.311662
H 2.679044 -0.411011 -1.515626
H -0.040859 -4.635182 0.452205
H 4.427556 1.721863 2.625963
H -0.188813 -2.676508 -3.380645
H 5.068325 0.217632 -1.358602
H -0.378858 -4.745870 -2.012366
H 5.952436 1.282603 0.709391
H -2.573818 -2.661524 0.205126
H -4.134766 -1.853561 0.481195
H -3.260689 -2.588604 1.834397
H -1.970682 4.086111 -1.849186


%chk=000291252-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000291252

0 1
S 0.101065 1.660126 -0.166100
O -2.256928 3.199464 -1.566049
O -2.880749 1.014565 -2.048013
O -1.721682 0.023167 2.710428
N -2.334411 0.192635 0.453199
C 0.776402 -0.050272 0.408562
C -1.879137 1.532777 0.155512
C 0.410861 -1.224361 -0.496425
C 2.279909 0.177451 0.566284
C -2.236089 2.591648 1.209445
C -2.393742 1.854367 -1.251275
C 0.472347 -2.530275 0.060880
C 2.780255 0.668847 1.800532
C 0.053569 -1.084641 -1.858974
C 3.187212 -0.072824 -0.494121
C -2.276689 -0.464871 1.680006
C 0.184084 -3.667250 -0.725303
C 4.161656 0.898346 1.974690
C -0.237800 -2.221541 -2.647937
C 4.569831 0.160866 -0.321187
C -0.174142 -3.516899 -2.086354
C 5.061840 0.646047 0.912297
C -2.924683 -1.847009 1.664761
H 0.336654 -0.193133 1.409597
H -3.334497 2.644770 1.334084
H -1.780883 2.315830 2.171160
H -1.865592 3.576303 0.887741
H -2.679032 -0.325418 -0.365790
H 0.755639 -2.653950 1.113868
H 2.080040 0.873845 2.619239
H -0.008447 -0.080412 -2.292232
H 2.812228 -0.463159 -1.446225
H 0.238908 -4.666634 -0.278589
H 4.535915 1.272963 2.933981
H -0.520779 -2.092344 -3.698655
H 5.262568 -0.038436 -1.146623
H -0.402636 -4.397009 -2.697812
H 6.134875 0.823889 1.046026
H -2.305216 -2.550943 1.078084
H -3.933351 -1.821743 1.215119
H -2.995329 -2.215545 2.698464
H -2.533844 3.349061 -2.509696


