%chk=000189756.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000189756

0 1
S -0.776869 -1.986805 1.923858
O 4.973866 1.760309 0.008421
O 4.973659 -0.483885 2.264688
O 6.471854 -1.153712 0.377297
O 4.962934 -0.386853 -2.963266
O -4.957995 -1.773627 -0.024237
O -3.881441 2.697465 -1.504629
O -7.297837 0.743813 1.031144
O -5.432198 0.947681 2.261385
N 2.694348 1.600844 0.445977
N 1.135223 2.937124 -0.601269
N 1.141867 -0.226253 1.218410
N -1.188217 0.209657 0.575311
N -1.844293 2.159387 -0.665140
N -3.844210 0.875861 -0.088634
C 4.277819 -0.306581 1.025120
C 4.038616 1.222005 0.951577
C 5.261897 -0.632500 -0.138248
C 5.492402 0.714548 -0.863495
C 4.745958 0.803801 -2.205130
C 1.462058 0.958549 0.595570
C 2.425692 2.809742 -0.296854
C 0.497247 1.806628 -0.061536
C -0.867915 1.387985 -0.048214
C -0.181522 -0.517657 1.168293
C -5.292788 0.651090 -0.203540
C -5.603698 -0.766333 -0.794774
C -3.268056 1.932133 -0.776518
C -5.215252 -0.848757 -2.261333
C -5.929062 0.794356 1.176983
C 0.694871 -2.746729 2.626246
H 3.357403 -0.927754 1.011372
H 4.253572 1.753703 1.914551
H 4.901819 -1.430086 -0.830636
H 6.571380 0.963169 -0.953075
H 5.049746 1.694213 -2.782177
H 3.645606 0.821618 -2.067869
H 4.994518 -1.442569 2.498783
H 6.775758 -0.617462 1.160689
H 3.230597 3.492500 -0.547728
H 5.889775 -0.432073 -3.282666
H -1.518562 3.020497 -1.149658
H -5.756004 1.430717 -0.886210
H -6.687681 -0.996552 -0.629979
H -3.329078 0.306266 0.602330
H -4.165254 -0.580338 -2.435849
H -5.822586 -0.181924 -2.886712
H -5.356325 -1.870376 -2.641324
H -3.994231 -1.816646 -0.211332
H 0.371739 -3.623004 3.205698
H 1.231525 -2.062800 3.299439
H 1.398457 -3.075307 1.851283
H -7.780131 0.818719 1.898705


%chk=000189756-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000189756

0 1
S -0.844484 -1.778832 2.152662
O 4.823349 1.714062 -0.557335
O 3.505297 -1.158558 1.321151
O 6.064181 -0.367323 1.534231
O 7.447305 -0.356280 -2.302705
O -5.343961 -1.856170 -0.239081
O -4.293616 2.664776 -1.394408
O -6.934638 0.203245 2.034885
O -4.679489 0.050353 2.581251
N 2.478650 1.533816 -0.207696
N 0.847303 2.775666 -1.238640
N 1.034497 -0.119240 0.975977
N -1.335449 0.287718 0.549401
N -2.113765 2.063185 -0.850586
N -3.942717 0.819529 0.019711
C 4.020645 -0.427596 0.186095
C 3.802016 1.109301 0.287744
C 5.565332 -0.502385 0.166121
C 5.982647 0.745854 -0.634326
C 6.261743 0.489862 -2.126305
C 1.262345 0.966280 0.168218
C 2.171232 2.622394 -1.047677
C 0.269948 1.746171 -0.478920
C -1.084013 1.361995 -0.258859
C -0.295681 -0.395242 1.122433
C -5.365830 0.586506 0.257671
C -5.955171 -0.572540 -0.622545
C -3.534604 1.874096 -0.762154
C -5.814399 -0.296812 -2.125314
C -5.572300 0.258868 1.735329
C 0.789018 -2.486238 2.756576
H 3.599943 -0.788246 -0.775928
H 3.920498 1.434705 1.341591
H 5.942541 -1.430195 -0.302198
H 6.848371 1.224144 -0.140048
H 6.360800 1.461431 -2.650746
H 5.437400 -0.075776 -2.591198
H 2.505223 -0.933635 1.380749
H 5.425906 -0.870812 2.111938
H 2.954503 3.237192 -1.480382
H 8.253258 0.136522 -2.004501
H -1.843650 2.857737 -1.440367
H -5.924287 1.508444 0.009085
H -7.014179 -0.693302 -0.341025
H -3.214442 0.311861 0.564112
H -4.751276 -0.214473 -2.418738
H -6.309888 0.648412 -2.407927
H -6.268646 -1.126429 -2.693608
H -4.391475 -1.848387 -0.518206
H 0.506298 -3.320975 3.416263
H 1.344290 -1.728314 3.327990
H 1.390405 -2.858182 1.914808
H -7.055981 -0.060385 2.986530


