%chk=000185253.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000185253

0 1
S 3.679339 -1.704575 0.301452
O 1.962631 0.341526 0.082893
N 1.101533 -1.668146 -0.429267
C -0.210905 -1.003248 -0.637262
C 3.084257 1.266164 0.438781
C -1.061314 -1.027658 0.645878
C 2.591107 2.575353 -0.186021
C -2.393871 -0.377972 0.396216
C 2.204252 -0.982784 -0.010418
C 3.168479 1.302122 1.951464
C 1.156249 -3.147768 -0.504849
C 2.965440 2.682788 -1.659657
C -2.522069 1.017319 0.479438
C -3.513001 -1.159117 0.071457
C -3.759009 1.621972 0.242615
C -4.748158 -0.548677 -0.163933
C -4.874156 0.841309 -0.079312
H -0.745508 -1.507712 -1.472202
H -0.034188 0.053031 -0.958054
H 4.016262 0.885363 -0.034555
H -1.187663 -2.068619 1.005960
H -0.519963 -0.506266 1.464711
H 1.488351 2.643080 -0.069858
H 3.005819 3.434284 0.377841
H 2.208594 1.558583 2.413873
H 3.467186 0.319602 2.353196
H 3.916617 2.025526 2.295565
H 1.403921 -3.591972 0.478248
H 1.945602 -3.465622 -1.215400
H 0.193902 -3.556978 -0.845239
H 2.573006 1.832603 -2.233178
H 4.052212 2.700235 -1.805517
H 2.559711 3.597019 -2.107597
H -1.657485 1.629067 0.730381
H -3.423583 -2.241175 0.004768
H -3.854857 2.704649 0.309862
H -5.614953 -1.158861 -0.413431
H -5.836685 1.314255 -0.262247


%chk=000185253-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000185253

0 1
S 3.815047 -1.718161 0.177546
O 1.955729 0.329980 0.110499
N 1.147715 -1.725981 -0.442545
C -0.170009 -1.075342 -0.641221
C 3.035988 1.287640 0.532784
C -1.020381 -1.026802 0.663078
C 2.665110 2.635413 -0.105232
C -2.365536 -0.363161 0.413515
C 2.260699 -1.019492 -0.056785
C 3.090357 1.311792 2.065158
C 1.247392 -3.189132 -0.607078
C 2.720007 2.624515 -1.646729
C -2.473038 1.051999 0.371677
C -3.528586 -1.136828 0.166200
C -3.708538 1.676901 0.091872
C -4.767285 -0.516254 -0.114547
C -4.861060 0.893971 -0.153762
H -0.714857 -1.635203 -1.423172
H -0.008954 -0.049188 -1.006683
H 3.986712 0.895255 0.121731
H -1.161347 -2.057078 1.041124
H -0.440949 -0.468313 1.420686
H 1.654570 2.929948 0.241214
H 3.369769 3.392213 0.293079
H 2.126025 1.647312 2.487979
H 3.327534 0.307863 2.455911
H 3.880345 2.007575 2.403114
H 1.655084 -3.659088 0.305100
H 1.925391 -3.445163 -1.440936
H 0.241008 -3.589064 -0.812833
H 2.024848 1.871460 -2.057620
H 3.736083 2.378083 -2.006970
H 2.442425 3.610509 -2.061272
H -1.583389 1.664089 0.567967
H -3.464222 -2.231923 0.201683
H -3.775003 2.770657 0.068621
H -5.656886 -1.129604 -0.297912
H -5.820699 1.377299 -0.368637


