%chk=000184843.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000184843

0 1
S 1.069183 2.088162 0.463619
O -2.139528 2.277380 1.421791
O 2.147102 0.550846 2.017385
O 4.316922 0.167655 1.582712
O 2.672072 -2.242801 -1.839273
N 1.618850 -1.002120 -0.246663
C -1.311979 2.102531 -0.833071
C -0.134013 3.024777 -0.529166
C 2.164877 1.364426 -0.804467
C 2.667207 0.030017 -0.256369
C -1.838035 1.552329 0.503138
C -2.443101 2.851390 -1.539320
C -1.960717 0.060230 0.607487
C 3.186244 0.231509 1.175188
C -2.693747 -0.669286 -0.336589
C -1.365809 -0.591968 1.696190
C 1.713289 -2.116803 -1.098755
C -2.836277 -2.051917 -0.186773
C -1.499671 -1.976516 1.834322
C -2.240287 -2.705108 0.897711
C 0.575610 -3.085836 -0.994503
H -0.970838 1.261017 -1.485621
H -0.453119 3.888042 0.096168
H 0.312811 3.445635 -1.443616
H 1.634565 1.220360 -1.764115
H 3.006240 2.055610 -1.005818
H 3.538453 -0.338837 -0.889021
H -3.276563 2.186561 -1.792590
H -2.848902 3.655302 -0.907573
H -2.096315 3.312485 -2.471497
H 0.797729 -0.814893 0.332108
H -3.166101 -0.162234 -1.177360
H -0.806960 -0.012190 2.435751
H -3.421239 -2.619059 -0.909551
H -1.041121 -2.483861 2.682470
H -2.361073 -3.781391 1.017389
H 0.726047 -3.920439 -1.699171
H 0.491857 -3.522105 0.011324
H -0.394700 -2.625932 -1.232919
H 2.450739 0.751032 2.948347


%chk=000184843-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000184843

0 1
S 1.403477 2.333357 0.640563
O -1.979505 2.013377 1.759509
O 4.212804 -0.500355 1.223105
O 5.081513 1.288531 0.025072
O 2.598574 -2.247482 -1.816723
N 1.960049 -0.665399 -0.239365
C -1.196162 1.929496 -0.545617
C -0.178665 3.014756 -0.153105
C 2.303163 1.716839 -0.922432
C 2.928805 0.320790 -0.696775
C -1.863016 1.320761 0.705608
C -2.314089 2.536237 -1.449961
C -2.428208 -0.072201 0.645134
C 4.176341 0.444535 0.198854
C -2.377831 -0.881863 -0.523111
C -3.050073 -0.590111 1.815767
C 1.899051 -1.933053 -0.804497
C -2.939430 -2.176967 -0.519377
C -3.604134 -1.884515 1.820738
C -3.551784 -2.682252 0.651102
C 0.959173 -2.912401 -0.114648
H -0.678249 1.134272 -1.114478
H -0.604511 3.679176 0.616754
H 0.123416 3.616666 -1.027117
H 1.559532 1.656439 -1.733608
H 3.089130 2.443216 -1.180426
H 3.307211 -0.055367 -1.671464
H -3.067506 1.778192 -1.727449
H -2.834063 3.356078 -0.922632
H -1.875910 2.943554 -2.379022
H 1.414580 -0.430946 0.594257
H -1.904981 -0.511950 -1.438770
H -3.082737 0.048253 2.704945
H -2.898327 -2.791489 -1.425169
H -4.077565 -2.274166 2.728386
H -3.984544 -3.688849 0.652571
H 0.436564 -3.513077 -0.876254
H 1.558940 -3.606459 0.501884
H 0.214722 -2.419870 0.533746
H 5.053948 -0.381755 1.743303


