%chk=000219663.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000219663

0 1
S 5.294804 -0.186807 0.389133
O 1.513718 0.287173 -0.179364
O 2.931880 0.376683 1.598411
N 7.230581 -0.817656 -1.603362
C -2.990964 -1.427175 0.887545
C -1.874242 -0.433239 1.277001
C -0.655169 -0.484837 0.351123
C 0.340107 0.632295 0.667301
C -0.102617 2.054183 0.267779
C -3.571242 -1.127480 -0.509584
C -2.487059 -2.884387 0.970824
C -4.350840 0.192618 -0.551558
C 0.965344 3.102497 0.643802
C -0.430223 2.150328 -1.224885
C -3.629959 -3.892431 1.065071
C -4.931815 0.457913 -1.947744
C 1.262327 3.153568 2.138737
C -5.703022 1.774934 -1.997806
C 2.733444 0.212457 0.415556
C 3.778267 -0.112851 -0.608084
C 6.419832 -0.562206 -0.821851
H -3.812281 -1.303254 1.638946
H -2.299538 0.591510 1.277745
H -1.560789 -0.629618 2.321045
H -0.142125 -1.463396 0.442972
H -0.976022 -0.426484 -0.710306
H 0.665314 0.600688 1.734011
H -1.034119 2.274041 0.852186
H -4.236360 -1.960360 -0.813178
H -2.756214 -1.109111 -1.259195
H -1.827089 -2.997851 1.853587
H -1.854151 -3.117553 0.093201
H -5.167158 0.173998 0.195843
H -3.691234 1.031678 -0.255587
H 1.898911 2.898779 0.083429
H 0.623999 4.099805 0.301037
H -0.664314 3.177822 -1.522196
H -1.295972 1.529481 -1.486100
H 0.414261 1.808699 -1.837086
H -4.304076 -3.822711 0.202962
H -3.248893 -4.919315 1.100944
H -4.234796 -3.735943 1.965553
H -4.117730 0.472915 -2.698413
H -5.598381 -0.376203 -2.242708
H 0.353508 3.269596 2.737514
H 1.922068 3.995360 2.380138
H 1.777528 2.241974 2.480770
H -5.062849 2.628557 -1.748370
H -6.114785 1.954925 -2.997271
H -6.542280 1.778411 -1.292885
H 3.826561 0.659135 -1.404694
H 3.560255 -1.069058 -1.128835


%chk=000219663-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000219663

0 1
S 5.007403 -1.328116 -0.289140
O 1.534825 0.719033 -0.181407
O 2.552053 -0.847503 1.232101
N 6.832702 -0.978214 -2.575776
C -3.002952 -1.282966 0.912311
C -1.983086 -0.139279 1.193432
C -0.713169 -0.173026 0.307691
C 0.340093 0.858074 0.753429
C -0.068473 2.347431 0.707173
C -3.551216 -1.261592 -0.541813
C -2.418070 -2.676238 1.285464
C -4.259074 0.050641 -0.951855
C 1.072898 3.283581 1.195869
C -0.576558 2.787006 -0.686687
C -3.483422 -3.784406 1.443283
C -4.940845 -0.038983 -2.336722
C 1.572081 3.013143 2.633141
C -5.625226 1.279138 -2.758496
C 2.530457 -0.161624 0.184263
C 3.611628 -0.170053 -0.887564
C 6.066808 -1.098296 -1.660710
H -3.866156 -1.099861 1.591231
H -2.492092 0.836064 1.068560
H -1.680028 -0.200082 2.259875
H -0.249578 -1.175623 0.368831
H -0.975393 0.001079 -0.751752
H 0.700439 0.589546 1.764360
H -0.904947 2.443848 1.432262
H -4.272762 -2.094791 -0.659842
H -2.725331 -1.473060 -1.252596
H -1.856551 -2.582645 2.237517
H -1.680075 -2.988517 0.518876
H -5.020168 0.312403 -0.186574
H -3.533100 0.889967 -0.966384
H 1.920211 3.216288 0.485714
H 0.698606 4.324818 1.135951
H -0.850387 3.857632 -0.673183
H -1.470575 2.219467 -1.002601
H 0.207402 2.644239 -1.451726
H -4.028590 -3.968745 0.499833
H -3.019309 -4.739823 1.749527
H -4.228010 -3.508974 2.214226
H -4.185284 -0.325426 -3.096893
H -5.688801 -0.857788 -2.320251
H 0.735790 3.030872 3.357900
H 2.299263 3.785251 2.943766
H 2.077292 2.034363 2.724747
H -4.892442 2.106515 -2.814692
H -6.106677 1.187334 -3.749374
H -6.404796 1.571815 -2.029860
H 4.022637 0.839543 -1.040968
H 3.214960 -0.551364 -1.841365


