%chk=000187385.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000187385

-1 1
S -3.938746 1.237393 -1.929075
P -2.617052 0.755273 -0.628111
O -1.420571 -0.072432 -1.347954
O 3.422255 -0.975802 1.038200
O -3.189826 -0.159759 0.630832
O -2.065796 2.087182 0.135434
N 2.253881 -0.762927 0.529903
C 2.275929 0.064812 -0.745331
C 3.020512 1.406201 -0.444121
C 0.904600 0.260429 -1.308332
C 3.469488 2.061784 -1.756877
C 2.156848 2.365290 0.380685
C 1.132957 -1.209901 1.116685
C -0.171145 -0.261596 -0.665081
C -0.149345 -0.976320 0.532798
C 1.241406 -1.999731 2.386738
C -3.982683 -1.328119 0.292545
C -1.346679 1.980766 1.398529
C -3.121333 -2.448280 -0.257730
C -2.329288 1.850750 2.548727
H 2.904738 -0.521639 -1.469168
H 3.930975 1.139254 0.157028
H 0.828141 0.817000 -2.224262
H 2.606533 2.311148 -2.385065
H 4.022426 2.984715 -1.565759
H 4.116642 1.392375 -2.331327
H 1.220740 2.594550 -0.144583
H 2.678324 3.301602 0.585522
H 1.889944 1.903256 1.338506
H -1.022850 -1.410561 0.983767
H 0.901092 -3.028918 2.229937
H 0.634681 -1.547648 3.177384
H 2.290927 -2.038575 2.731043
H -4.398915 -1.579398 1.289386
H -4.810171 -1.047383 -0.387853
H -0.602817 1.154529 1.375020
H -0.816987 2.954626 1.404679
H -2.898697 -2.327809 -1.328129
H -2.128595 -2.459398 0.243468
H -3.582241 -3.427378 -0.117270
H -1.836786 2.023441 3.509897
H -3.156004 2.563966 2.445851
H -2.776610 0.843033 2.579263


%chk=000187385-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000187385

-1 1
S -2.100845 1.902104 -0.179556
P -1.647295 0.040947 0.691889
O -0.798527 -1.371818 -1.656040
O 3.414363 0.535118 1.476688
O -2.974077 -1.128781 0.602450
O -1.683177 0.121340 2.453735
N 2.365900 0.120644 0.737806
C 2.578537 0.179904 -0.759527
C 2.927144 1.667657 -1.137651
C 1.459065 -0.435870 -1.557019
C 3.421044 1.734759 -2.600158
C 1.747060 2.629650 -0.893107
C 1.257551 -0.377283 1.316496
C 0.270383 -0.911516 -1.023158
C 0.121823 -0.876611 0.497643
C 1.292280 -0.489978 2.817398
C -3.632825 -1.366039 -0.708682
C -2.796654 0.850132 3.097436
C -3.554728 -2.860459 -1.027541
C -2.232093 2.035248 3.889032
H 3.527326 -0.386743 -0.895052
H 3.763057 1.942504 -0.462259
H 1.589390 -0.465781 -2.644539
H 2.598057 1.513450 -3.304390
H 3.801741 2.748025 -2.831712
H 4.239063 1.010843 -2.786892
H 0.844381 2.304753 -1.440499
H 2.010991 3.655201 -1.218206
H 1.479403 2.671332 0.177914
H -0.218272 -1.867153 0.864318
H 2.199792 -1.043037 3.130706
H 0.376474 -0.973479 3.185814
H 1.370740 0.511340 3.282169
H -4.677507 -1.013837 -0.598339
H -3.117663 -0.785720 -1.494262
H -3.515279 1.201427 2.330721
H -3.302518 0.121275 3.758159
H -2.494958 -3.119920 -1.186517
H -3.976150 -3.466617 -0.204210
H -4.120630 -3.082935 -1.954502
H -3.038066 2.540715 4.457891
H -1.461497 1.691261 4.602181
H -1.772902 2.763751 3.199168


