%chk=000259203.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000259203

0 1
S 2.038671 0.871255 -1.164832
O 1.729517 2.195215 -1.672724
O 1.606504 -0.287855 -1.924659
N 1.313453 0.812827 0.406494
N -4.368139 0.157091 1.914491
N -5.725592 -0.311115 -0.014813
N -5.085081 0.455829 -2.249787
N -7.189916 -0.572362 -1.863170
C -1.179938 0.822633 0.036407
C 0.043068 1.573173 0.582890
C -2.461032 1.649852 0.217863
C -3.661089 0.942638 -0.337147
C 1.450245 -0.367005 1.222596
C 3.717870 0.738852 -0.820070
C -4.575895 0.241221 0.490475
C -3.950766 0.995967 -1.723670
C 1.643137 -0.193670 2.607241
C 1.427562 -1.659552 0.669562
C 4.452511 1.880541 -0.478304
C 4.357872 -0.504272 -0.894125
C -3.034491 1.647361 -2.704449
C 5.816151 1.782338 -0.203648
C 5.720845 -0.609900 -0.621005
C 6.460107 0.534082 -0.270347
C -5.963577 -0.142238 -1.363619
C 1.825658 -1.311296 3.422138
C 1.618717 -2.765903 1.499558
C -3.272501 -0.788646 2.283023
C -5.604396 -0.118325 2.706043
C 1.817820 -2.598386 2.873255
C 7.921170 0.426467 0.009572
H -1.296152 -0.156511 0.555346
H -1.041147 0.571104 -1.035568
H -0.091661 1.794824 1.665232
H 0.160610 2.559339 0.069623
H -2.619754 1.880611 1.294142
H -2.349177 2.639077 -0.274159
H 1.659970 0.808089 3.032406
H 1.244850 -1.807325 -0.401653
H 3.958306 2.857769 -0.433755
H 3.787882 -1.398338 -1.173832
H -2.003266 1.268441 -2.607562
H -3.351784 1.474389 -3.746423
H -2.999846 2.736777 -2.555093
H 6.381577 2.674224 0.059566
H 6.212186 -1.579176 -0.681199
H 1.978740 -1.178790 4.492662
H 1.603859 -3.767548 1.070089
H -3.565176 -1.848349 2.220031
H -2.388109 -0.640934 1.629619
H -2.959203 -0.570103 3.316837
H -6.030135 -1.121895 2.547392
H -5.371899 0.013224 3.773449
H -6.382297 0.615481 2.431922
H 1.963851 -3.464967 3.513690
H 8.198156 -0.548387 0.435031
H 8.503767 0.548665 -0.917731
H 8.274472 1.193907 0.712476
H -7.281839 -0.670326 -2.864423
H -7.733043 -1.209089 -1.299053


%chk=000259203-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000259203

0 1
S 1.997366 0.850094 -0.984348
O 1.495446 2.339782 -1.421018
O 1.659168 -0.439439 -1.937172
N 1.363126 0.657723 0.848213
N -4.924656 0.415525 1.835621
N -6.054027 0.028919 -0.176359
N -4.991329 0.208195 -2.364939
N -7.255087 -0.347403 -2.149959
C -1.182837 0.488606 0.297422
C -0.003730 1.256399 0.939357
C -2.463313 1.369828 0.277035
C -3.701856 0.726120 -0.334562
C 1.598714 -0.670409 1.371948
C 3.855350 0.877483 -0.712397
C -4.873859 0.374459 0.432932
C -3.827752 0.598622 -1.750283
C 2.441473 -0.750232 2.511912
C 1.057777 -1.862316 0.812665
C 4.447615 2.076728 -0.285610
C 4.580788 -0.292015 -0.985024
C -2.690224 0.907870 -2.703569
C 5.849082 2.091099 -0.116961
C 5.981449 -0.251205 -0.805472
C 6.633249 0.933452 -0.372206
C -6.060333 -0.021531 -1.539872
C 2.706796 -1.998053 3.116154
C 1.345298 -3.108484 1.410877
C -3.834960 -0.097424 2.683487
C -6.244834 0.402420 2.490930
C 2.159186 -3.180838 2.565786
C 8.142733 0.974390 -0.219302
H -1.372945 -0.458734 0.835848
H -0.915109 0.215180 -0.739553
H -0.178051 1.404513 2.024168
H 0.073851 2.259380 0.478946
H -2.693986 1.715660 1.301471
H -2.222066 2.286915 -0.298352
H 2.867980 0.177280 2.907154
H 0.450051 -1.814085 -0.094507
H 3.836642 2.967293 -0.108722
H 4.066699 -1.191675 -1.338151
H -1.987612 0.056036 -2.774820
H -3.106053 1.082293 -3.707796
H -2.098981 1.788445 -2.396568
H 6.340400 3.013288 0.214072
H 6.573947 -1.150853 -1.007532
H 3.346268 -2.048365 4.004346
H 0.933899 -4.024619 0.972769
H -4.183569 -0.990329 3.244369
H -2.976827 -0.409212 2.073869
H -3.496172 0.655647 3.422203
H -6.665209 -0.621968 2.569632
H -6.134711 0.824220 3.507397
H -6.956799 1.010464 1.914853
H 2.371735 -4.151323 3.027993
H 8.550967 -0.014783 0.051146
H 8.624122 1.280125 -1.168413
H 8.453867 1.698315 0.553685
H -7.285837 -0.403562 -3.163663
H -8.070118 -0.542912 -1.576827


