%chk=000193642.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000193642

0 1
S 3.292322 -1.132468 -0.475673
O 0.737439 2.160502 1.164091
O 3.815185 3.802245 -1.199582
O 1.710907 3.105177 -1.481545
O -0.606270 -1.413573 2.924084
O -0.759852 -0.021787 -1.025620
N 2.917121 1.213774 0.743884
N 0.628974 -1.077869 1.023775
N -2.427183 -0.792131 0.349554
N -2.794084 1.156859 -0.904534
N -1.129861 2.912350 -1.233745
N -3.357654 3.119586 -2.061025
C 3.043877 -0.241905 1.087911
C 3.316615 0.372583 -1.575525
C 3.464109 1.570236 -0.578550
C 1.600140 -0.222191 1.674345
C 1.522832 1.269794 1.172859
C 4.542231 0.245106 -2.458581
C 2.028376 0.372004 -2.361963
C 2.832379 2.849298 -1.113624
C -0.529479 -1.478676 1.714568
C -1.646708 -1.984187 0.754621
C -2.563790 -3.003809 1.389356
C -2.954486 -4.120917 0.633730
C -3.047894 -2.841428 2.694434
C -1.903704 0.122106 -0.566394
C -3.820451 -5.068006 1.184935
C -3.914054 -3.792817 3.241156
C -4.302074 -4.904973 2.488649
C -2.384159 2.338658 -1.388654
H 3.851091 -0.469897 1.809130
H 4.568905 1.777560 -0.410529
H 1.551397 -0.321783 2.787518
H 4.669284 1.126079 -3.103165
H 4.473221 -0.624025 -3.130057
H 5.472992 0.122245 -1.886598
H 1.998032 1.165097 -3.121544
H 1.860538 -0.574982 -2.895033
H 1.128967 0.519060 -1.733752
H 0.611520 -1.038141 -0.016456
H -1.158104 -2.433027 -0.161215
H 3.480480 4.681623 -1.528974
H -3.363524 -0.678211 0.735165
H -2.587386 -4.252598 -0.383430
H -2.725587 -1.983247 3.294144
H -4.120933 -5.934457 0.598117
H -4.282485 -3.665689 4.258255
H -4.976508 -5.645005 2.916339
H -0.831943 3.700848 -1.788914
H -0.350852 2.335394 -0.897101
H -4.302043 2.734765 -2.038734
H -3.346667 4.117649 -1.890502


%chk=000193642-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000193642

0 1
S 3.334814 -1.183106 -0.510481
O 0.643760 2.316478 1.137052
O 4.103952 3.769517 -1.477846
O 1.848625 3.224827 -1.527436
O -0.536137 -1.701188 3.019626
O -0.929793 -0.090224 -1.149836
N 2.770660 1.227157 0.600942
N 0.445142 -0.940946 1.030768
N -2.497528 -0.816155 0.419997
N -2.920573 1.176816 -0.669956
N -1.230373 2.528304 -1.748173
N -3.373081 3.376832 -1.241812
C 2.925905 -0.179704 1.046650
C 3.490042 0.411106 -1.633541
C 3.525643 1.625862 -0.588476
C 1.463097 -0.123712 1.643315
C 1.447811 1.372789 1.118533
C 4.826488 0.343500 -2.397304
C 2.281499 0.414354 -2.590603
C 3.018130 2.924363 -1.217110
C -0.552066 -1.567241 1.762541
C -1.725372 -2.019442 0.816344
C -2.647243 -3.064935 1.421337
C -2.932383 -4.250679 0.701118
C -3.263940 -2.859201 2.682960
C -2.060280 0.103028 -0.517331
C -3.819761 -5.217347 1.225213
C -4.154894 -3.822473 3.204847
C -4.436578 -5.003298 2.479057
C -2.481683 2.323701 -1.224290
H 3.727090 -0.348184 1.782525
H 4.582297 1.783308 -0.309759
H 1.405890 -0.237356 2.738736
H 4.968400 1.262619 -2.998116
H 4.837251 -0.516578 -3.088944
H 5.681313 0.239504 -1.707562
H 2.344319 1.250755 -3.312462
H 2.272755 -0.527870 -3.165435
H 1.320454 0.477620 -2.056316
H 0.222221 -0.772911 0.024999
H -1.262553 -2.420593 -0.105225
H 3.779187 4.602131 -1.918303
H -3.370113 -0.602133 0.906674
H -2.460168 -4.416325 -0.275098
H -3.015747 -1.968999 3.269007
H -4.029327 -6.130842 0.657591
H -4.620794 -3.657077 4.182756
H -5.125878 -5.750619 2.888288
H -0.801262 3.450754 -1.801889
H -0.618438 1.701723 -1.736619
H -4.273160 3.227277 -0.793281
H -3.196419 4.227611 -1.768070


