%chk=000179342.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179342

0 1
S 3.617603 -0.463983 0.271291
O -3.442674 1.479225 -0.773125
O 1.062390 0.060531 -0.021696
O -5.463200 2.222382 -1.162398
N 5.296557 1.310852 -0.551859
N 4.075968 1.829227 -0.820078
C -3.037354 -0.673637 0.264321
C 6.457529 -0.714339 0.437856
C -4.469894 -0.909744 0.354532
C -2.582504 0.536230 -0.307755
C -5.339970 0.033235 -0.111514
C 5.283654 0.115849 0.020536
C -2.051066 -1.586836 0.717160
C -0.300027 -0.075611 0.021644
C -1.216994 0.859442 -0.440669
C 7.266619 0.040280 1.499504
C 7.312677 -1.046802 -0.790682
C -0.704440 -1.308151 0.605182
C -4.935103 -2.191107 0.961002
C -4.876630 1.282300 -0.702372
C 1.618922 1.288213 -0.600742
C 3.069288 1.046782 -0.461505
C -6.827581 -0.107472 -0.068435
H 6.094689 -1.676649 0.887242
H -2.364909 -2.532572 1.164831
H -0.946900 1.809586 -0.891282
H 7.642242 0.998314 1.111507
H 8.134970 -0.543579 1.824014
H 6.663811 0.265374 2.386609
H 6.742745 -1.600743 -1.545234
H 8.181944 -1.653937 -0.515067
H 7.690240 -0.134613 -1.275309
H 0.058810 -2.002610 0.949717
H -6.030082 -2.284855 0.994510
H -4.581201 -2.293371 1.998404
H -4.564604 -3.058510 0.393260
H 1.269106 2.161321 -0.011658
H 1.295852 1.372055 -1.659175
H -7.166356 -0.980861 -0.642929
H -7.338035 0.770800 -0.498769
H -7.192791 -0.209317 0.963027


%chk=000179342-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000179342

0 1
S 3.896696 -0.800721 0.425151
O -3.410720 1.456269 -0.761603
O 1.005139 -0.359097 0.149958
O -5.458472 2.377602 -1.223513
N 5.322700 1.242056 -0.540086
N 3.970613 1.597649 -0.739817
C -3.223809 -0.750570 0.294401
C 6.823096 -0.557806 0.370894
C -4.680708 -0.853882 0.330623
C -2.628675 0.417913 -0.258119
C -5.467282 0.179332 -0.171094
C 5.479916 0.055148 0.040122
C -2.335641 -1.756331 0.782646
C -0.394947 -0.414946 0.161543
C -1.232531 0.604810 -0.334035
C 7.576805 0.328668 1.399800
C 7.659514 -0.751698 -0.922910
C -0.946723 -1.600840 0.721845
C -5.300365 -2.102657 0.922239
C -4.860428 1.391591 -0.745384
C 1.630537 0.841237 -0.414797
C 3.120527 0.673095 -0.306491
C -6.984955 0.157538 -0.175098
H 6.646233 -1.550706 0.826732
H -2.745736 -2.673253 1.216006
H -0.859821 1.532408 -0.774326
H 7.752292 1.333528 0.978995
H 8.552071 -0.128315 1.646135
H 6.999659 0.441531 2.334822
H 7.142375 -1.410523 -1.643010
H 8.635407 -1.206196 -0.674433
H 7.835692 0.221866 -1.411370
H -0.266172 -2.370384 1.095623
H -6.398734 -2.069367 0.898558
H -4.987114 -2.238206 1.974823
H -4.975845 -3.004448 0.369083
H 1.312392 1.744120 0.144301
H 1.341886 0.965492 -1.477903
H -7.378953 -0.689542 -0.766843
H -7.368111 1.089739 -0.617969
H -7.394506 0.070594 0.848397


