%chk=000210044.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000210044

0 1
S 5.211376 -0.418298 0.267809
O 6.170298 0.165204 -0.656204
O 5.586130 -0.629275 1.656764
O 0.257453 4.192822 -0.158970
O -2.344780 -2.264944 -1.088466
O -4.623128 -2.894779 0.517842
N -0.931272 2.374056 0.549758
C 4.670791 -1.968368 -0.437488
C 3.771688 0.576070 0.244184
C 5.897788 -2.857331 -0.605134
C 3.622681 -2.606475 0.463354
C 3.429759 1.277719 -0.913238
C 2.993105 0.691808 1.397232
C -3.118523 2.473416 -0.657592
C 1.476550 2.152805 0.211492
C -2.239191 3.064468 0.459083
C 2.275420 2.067331 -0.935454
C 1.835879 1.477631 1.383999
C -3.547560 1.067313 -0.343832
C 0.244134 3.017499 0.164666
C -2.807114 -0.016057 -0.844058
C -4.669592 0.829962 0.455853
C -3.189223 -1.327814 -0.541851
C -4.333783 -1.561150 0.271896
C -5.064036 -0.479336 0.761718
C -2.690689 -3.665940 -0.943048
C -5.834130 -3.184705 1.256811
H 4.223445 -1.794855 -1.448536
H 5.636023 -3.809764 -1.083548
H 6.366256 -3.104517 0.359069
H 6.666299 -2.381237 -1.234142
H 3.358138 -3.611569 0.105630
H 3.987867 -2.730485 1.495289
H 2.691054 -2.028825 0.498939
H 4.071326 1.230232 -1.800002
H 3.294111 0.178876 2.318624
H -4.005140 3.125454 -0.803608
H -2.576280 2.513578 -1.626028
H -2.750625 2.977134 1.444377
H -2.066917 4.153281 0.270591
H 2.008058 2.631594 -1.831077
H 1.231880 1.576755 2.286139
H -0.965139 1.368811 0.701096
H -1.938758 0.142037 -1.482271
H -5.249398 1.663195 0.847389
H -5.941535 -0.635464 1.384601
H -1.885572 -4.155841 -1.501490
H -2.680259 -3.944690 0.116560
H -3.670936 -3.861062 -1.389800
H -5.826543 -4.282115 1.272162
H -5.767514 -2.779230 2.270446
H -6.709674 -2.806425 0.721465


%chk=000210044-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000210044

0 1
S 4.837005 -1.044796 1.020537
O 6.001396 -0.103743 1.692280
O 4.216338 -2.347445 1.802708
O 0.367575 3.782399 -1.049366
O -2.457113 -2.366028 -0.152283
O -4.769928 -2.522951 1.530372
N -1.144455 2.407672 0.070722
C 5.560655 -1.680010 -0.735513
C 3.379137 0.088565 0.583017
C 6.952019 -2.227877 -0.423724
C 4.555293 -2.675315 -1.305437
C 3.646709 1.438145 0.295453
C 2.086552 -0.457605 0.605344
C -3.323512 2.377885 -1.184047
C 1.229394 1.763049 -0.008489
C -2.336865 3.186906 -0.287107
C 2.553704 2.273324 -0.014243
C 1.001639 0.395611 0.302847
C -3.779791 1.085953 -0.523168
C 0.124085 2.730083 -0.375999
C -3.020892 -0.103171 -0.671633
C -4.928674 1.039032 0.301285
C -3.357862 -1.298004 -0.000727
C -4.507897 -1.320843 0.849698
C -5.292055 -0.149446 0.974543
C -2.996837 -3.707495 -0.463234
C -5.909178 -2.544185 2.452700
H 5.599366 -0.726522 -1.291911
H 7.472175 -2.457613 -1.372669
H 6.888566 -3.156389 0.170457
H 7.553102 -1.490457 0.135971
H 4.966770 -3.113080 -2.234510
H 4.376745 -3.495081 -0.586713
H 3.588680 -2.202277 -1.552087
H 4.671015 1.822460 0.342655
H 1.937128 -1.509468 0.871003
H -4.190788 3.030278 -1.400256
H -2.821489 2.166260 -2.146048
H -2.855649 3.509193 0.636164
H -1.982293 4.085385 -0.820209
H 2.698508 3.327647 -0.269631
H -0.006703 -0.034338 0.286448
H -1.282027 1.577935 0.650037
H -2.147059 -0.130835 -1.332488
H -5.548942 1.934713 0.423722
H -6.182957 -0.151052 1.609680
H -2.107680 -4.341980 -0.597760
H -3.623988 -4.081920 0.360870
H -3.582271 -3.677114 -1.402337
H -5.904412 -3.553966 2.888434
H -5.788137 -1.790847 3.254647
H -6.863904 -2.372139 1.918994


