%chk=000220689.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000220689

0 1
S 1.032881 -1.234964 0.012295
O 0.262350 0.584453 0.010874
O 0.811057 -1.980868 -1.405855
O 0.819514 -1.974090 1.435298
N -1.768744 -0.654479 0.020209
N -3.983819 2.994703 0.031618
C -5.472091 -1.355129 0.004340
C -5.402531 0.218699 0.041025
C -4.001177 -1.891940 0.033923
C -3.919167 0.528877 0.029395
C -3.141295 -0.643794 0.025845
C -3.253735 1.804120 0.026973
C -1.817048 1.813628 0.019503
C -1.136747 0.570174 0.016890
C 2.769982 -0.516223 0.005356
C 3.389182 -0.266646 1.238950
C 3.383535 -0.276664 -1.233074
C 5.373397 0.509995 -0.004793
C 4.703075 0.249457 1.219504
C 4.697452 0.239497 -1.223887
C 6.796381 1.037754 -0.010410
H -6.048208 -1.737359 0.864370
H -5.991482 -1.694021 -0.908507
H -5.927102 0.660336 -0.830921
H -5.900453 0.618562 0.948188
H -3.789711 -2.498139 0.934101
H -3.765085 -2.530457 -0.836792
H -1.245282 2.744468 0.016565
H -3.514571 3.895155 0.029233
H -4.998250 2.978803 0.036383
H 2.867323 -0.480676 2.176647
H 2.857268 -0.498335 -2.166531
H 5.212050 0.454461 2.168270
H 5.202068 0.436694 -2.176642
H 7.006768 1.648410 0.884658
H 6.997065 1.655230 -0.903092
H 7.524446 0.203509 -0.017704


%chk=000220689-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000220689

0 1
S 1.008858 -1.227308 0.057975
O 0.239822 0.593163 0.007441
O 0.779512 -2.015826 -1.335734
O 0.799781 -1.922041 1.503967
N -1.757877 -0.637393 0.059538
N -3.986794 2.984863 0.065656
C -5.400319 -1.338089 -0.235600
C -5.385163 0.191149 0.111360
C -3.981744 -1.876128 0.129659
C -3.906355 0.535059 0.065075
C -3.116639 -0.630815 0.071275
C -3.257397 1.802839 0.054433
C -1.831610 1.815854 0.030686
C -1.149849 0.578894 0.033860
C 2.747511 -0.513085 0.020595
C 3.374900 -0.230220 1.243355
C 3.355123 -0.311719 -1.228034
C 5.355329 0.502026 -0.033896
C 4.690850 0.279768 1.201449
C 4.671256 0.199297 -1.241122
C 6.780468 1.023120 -0.062791
H -6.206330 -1.876781 0.291540
H -5.568676 -1.460427 -1.321033
H -5.997126 0.773002 -0.606413
H -5.807691 0.375122 1.121377
H -3.952715 -2.301206 1.152396
H -3.622899 -2.662203 -0.556322
H -1.263411 2.749267 0.012783
H -3.519613 3.886963 0.049961
H -5.002014 2.965194 0.082657
H 2.857805 -0.415003 2.189890
H 2.822853 -0.558593 -2.151736
H 5.206121 0.510009 2.140984
H 5.171196 0.366638 -2.202006
H 6.997749 1.660985 0.811407
H 6.979485 1.610981 -0.975594
H 7.504900 0.185844 -0.046835


