%chk=000217427.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217427

0 1
S 5.490514 -0.502410 -0.000940
S 6.409951 -2.077895 0.466909
O 3.909413 -0.910186 -0.097212
O 5.774537 -0.144865 -1.597240
O 5.609777 0.766824 0.644985
N 0.539360 0.256226 -0.721470
C -2.486054 0.138389 -0.124246
C -3.848490 -0.370784 0.394141
C -1.741436 -0.979573 -0.903910
C -4.575327 0.715881 1.211050
C -2.718142 1.388738 -0.998937
C -4.786772 1.976735 0.348706
C -3.453416 2.484133 -0.214104
C -0.437091 -0.475624 -1.571547
C -1.476860 -2.197182 0.004777
C -5.915498 0.189147 1.736792
C -1.030204 -3.432567 -0.770835
C 1.567702 -0.590867 -0.051354
C 2.912865 0.118976 -0.350756
C 1.354877 -0.743535 1.456220
H -1.862979 0.431770 0.754999
H -4.480737 -0.687324 -0.455986
H -3.704276 -1.275782 1.016324
H -2.410809 -1.314671 -1.737122
H -3.935965 0.989543 2.086232
H -1.757506 1.789028 -1.373220
H -3.304380 1.114432 -1.896185
H -5.484003 1.753170 -0.480470
H -5.270902 2.768788 0.948165
H -2.812433 2.850643 0.610478
H -3.631668 3.356759 -0.870455
H 0.069461 -1.331536 -2.070648
H -0.703679 0.233099 -2.392502
H -0.718645 -1.938292 0.777049
H -2.400346 -2.440301 0.573699
H -5.776955 -0.689643 2.375366
H -6.587122 -0.101706 0.921807
H -6.435117 0.947083 2.332826
H 0.050724 0.846163 -0.039982
H -0.858400 -4.280362 -0.097248
H -1.783114 -3.745299 -1.503426
H -0.095187 -3.257934 -1.316651
H 1.614328 -1.612476 -0.517400
H 2.990519 0.408572 -1.414656
H 3.096502 0.984722 0.307493
H 2.179797 -1.312599 1.906551
H 1.301039 0.216660 1.978617
H 0.421884 -1.295520 1.663216
H 5.923768 0.790952 -1.828001


%chk=000217427-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000217427

0 1
S 5.196629 0.940665 -1.164167
S 7.234237 0.387669 -0.893561
O 4.054567 -0.139285 -0.030497
O 4.490065 0.257642 -2.778671
O 4.731822 2.495077 -1.153745
N 0.466489 -0.831683 0.595278
C -2.498405 -0.130902 0.129969
C -4.037553 -0.269588 -0.044574
C -1.745999 -1.364616 -0.480165
C -4.831792 0.901746 0.587733
C -2.052451 1.231001 -0.473027
C -4.352219 2.249924 -0.003810
C -2.824408 2.421931 0.143227
C -0.222901 -1.117641 -0.674982
C -1.982858 -2.661276 0.346568
C -6.352634 0.709567 0.405954
C -1.661465 -3.965001 -0.418013
C 1.908590 -0.991189 0.707365
C 2.641570 0.128089 -0.160954
C 2.365285 -0.927983 2.172686
H -2.290661 -0.106683 1.225002
H -4.268229 -0.309680 -1.132057
H -4.395126 -1.222818 0.389670
H -2.157558 -1.521583 -1.502337
H -4.609561 0.912332 1.677978
H -0.966523 1.398219 -0.330138
H -2.225332 1.210223 -1.570138
H -4.625859 2.285433 -1.079891
H -4.881639 3.089709 0.488102
H -2.568908 2.502576 1.220643
H -2.497602 3.367063 -0.332337
H 0.243805 -2.022505 -1.107497
H -0.079942 -0.305077 -1.423034
H -1.364393 -2.605330 1.264250
H -3.037577 -2.701732 0.676673
H -6.696122 -0.241198 0.855306
H -6.620336 0.690880 -0.668509
H -6.920094 1.532857 0.878967
H 0.077810 -0.048016 1.132397
H -1.870570 -4.851311 0.208602
H -2.274473 -4.049119 -1.335428
H -0.598435 -4.020629 -0.717098
H 2.191709 -1.963294 0.263517
H 2.314635 0.031263 -1.214129
H 2.375084 1.127449 0.241160
H 3.462421 -1.023494 2.227120
H 2.087128 0.039311 2.635154
H 1.897783 -1.739906 2.755549
H 4.505501 1.028414 -3.420213


