%chk=000232051.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000232051

0 1
S -3.746214 -2.930493 -0.371807
C 3.705766 -0.563679 -0.346537
C 4.982309 -0.336928 0.474614
C 2.561082 -1.089597 0.530050
C 6.126899 0.189098 -0.402032
C 1.284809 -1.315901 -0.291617
C 7.403597 0.416213 0.418816
C 0.140132 -1.841705 0.584668
C 8.547863 0.942109 -0.457943
C -1.136330 -2.067709 -0.240767
C 9.825710 1.170027 0.361903
C -2.269546 -2.586909 0.632801
C 10.968049 1.693547 -0.505935
C -4.459901 -1.289616 -0.689268
C -5.241496 -0.802660 0.525081
C -5.898442 0.521196 0.229599
C -5.218999 1.721085 0.489595
C -7.190609 0.561357 -0.316151
C -5.829079 2.946744 0.209566
C -7.795984 1.789591 -0.594322
C -7.117780 2.984323 -0.332194
H 3.909104 -1.277307 -1.168255
H 3.401287 0.381014 -0.836942
H 2.358782 -0.376200 1.352058
H 2.866384 -2.034574 1.019571
H 5.287580 -1.281677 0.964441
H 4.779654 0.376557 1.296458
H 5.822145 1.133714 -0.892361
H 6.330243 -0.524461 -1.223721
H 1.488360 -2.029770 -1.113417
H 0.981090 -0.371181 -0.782591
H 7.708741 -0.528437 0.908847
H 7.200631 1.129821 1.240468
H 0.445446 -2.787413 1.072960
H -0.062058 -1.128640 1.406803
H 8.244387 1.886587 -0.948950
H 8.752325 0.229449 -1.279886
H -1.430240 -1.121790 -0.737989
H -0.927675 -2.782467 -1.063819
H 10.131811 0.225076 0.851943
H 9.623132 1.884618 1.183522
H -2.000496 -3.549954 1.112597
H -2.511847 -1.883735 1.449392
H 11.219919 0.990938 -1.308396
H 11.875290 1.852728 0.087402
H 10.711894 2.649476 -0.976669
H -5.122998 -1.406037 -1.571257
H -3.674299 -0.568554 -0.980603
H -4.576625 -0.712153 1.409271
H -6.005211 -1.554658 0.820767
H -4.216037 1.699195 0.910079
H -7.723163 -0.364836 -0.523097
H -5.298621 3.875173 0.414502
H -8.799373 1.815640 -1.016326
H -7.591199 3.939265 -0.548622


%chk=000232051-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000232051

0 1
S -3.922573 -3.146244 -0.459156
C 3.723372 -0.646996 -0.398222
C 4.960777 -0.256905 0.441606
C 2.510419 -1.066152 0.462750
C 6.179551 0.154565 -0.414847
C 1.267134 -1.447197 -0.372482
C 7.413515 0.548842 0.428334
C 0.064982 -1.886674 0.494488
C 8.634747 0.958593 -0.425556
C -1.185371 -2.246139 -0.344827
C 9.866922 1.355609 0.419809
C -2.355300 -2.731316 0.528096
C 11.082205 1.763588 -0.441093
C -4.629153 -1.405022 -0.701378
C -5.367156 -0.868121 0.550129
C -5.926409 0.528743 0.311376
C -5.140654 1.681945 0.570392
C -7.231827 0.706183 -0.216690
C -5.643683 2.976856 0.311050
C -7.739745 1.998819 -0.478051
C -6.946331 3.139801 -0.215415
H 3.992155 -1.478826 -1.082495
H 3.436052 0.207414 -1.046328
H 2.247793 -0.237328 1.153269
H 2.797697 -1.925318 1.104635
H 5.243701 -1.109334 1.094374
H 4.692603 0.578625 1.121851
H 5.896864 1.004952 -1.070297
H 6.450918 -0.682129 -1.092251
H 1.531977 -2.266727 -1.072410
H 0.969726 -0.583609 -1.003343
H 7.694884 -0.300974 1.085232
H 7.142043 1.386595 1.104591
H 0.360319 -2.762120 1.110009
H -0.188168 -1.075017 1.208575
H 8.354704 1.807713 -1.083876
H 8.909539 0.120796 -1.100323
H -1.499062 -1.361011 -0.934323
H -0.929796 -3.034681 -1.079007
H 10.145590 0.506729 1.077252
H 9.590858 2.192370 1.093775
H -2.101616 -3.670318 1.051538
H -2.627085 -1.982935 1.295028
H 11.397102 0.932199 -1.099812
H 11.948598 2.045369 0.185413
H 10.836763 2.627546 -1.087462
H -5.319331 -1.494010 -1.557979
H -3.804392 -0.735066 -1.001061
H -4.664760 -0.857955 1.405060
H -6.176687 -1.575219 0.807396
H -4.131698 1.563303 0.986181
H -7.855553 -0.174499 -0.416088
H -5.024880 3.856384 0.523158
H -8.752466 2.116666 -0.880333
H -7.339614 4.143138 -0.413965


