%chk=000224621.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000224621

0 1
S -3.470929 1.653769 -2.556892
O -5.113313 -1.712755 0.909348
N -3.325807 -0.057771 -0.560753
C -2.943758 -0.588039 0.777322
C -4.282349 -0.957628 -1.268184
C -4.213961 -0.836066 1.611036
C -5.510952 -1.193737 -0.377749
C -2.931624 1.133312 -1.062242
C -1.994649 2.026109 -0.295106
C -0.610753 1.456270 -0.133791
C 0.022736 1.493799 1.117188
C 0.065108 0.914767 -1.238358
C 1.986528 0.430363 0.164461
C 1.314716 0.984597 1.264637
C 1.353083 0.401145 -1.089010
C 3.352656 -0.114586 0.322198
C 4.382113 0.698088 0.823284
C 3.625138 -1.446360 -0.029173
C 5.671535 0.180461 0.969950
C 4.916114 -1.958449 0.123170
C 5.940554 -1.147220 0.621876
H -2.250984 0.093282 1.313648
H -2.389508 -1.546297 0.630832
H -3.762660 -1.918815 -1.486145
H -4.595850 -0.535123 -2.255825
H -3.997752 -1.405501 2.533925
H -4.738425 0.103604 1.858114
H -6.102965 -0.272774 -0.232504
H -6.156661 -2.001971 -0.767844
H -1.899547 3.007280 -0.835009
H -2.443293 2.306322 0.682856
H -0.480900 1.930725 1.977081
H -0.415657 0.903671 -2.219612
H 1.802906 1.014766 2.238384
H 1.875603 -0.015127 -1.950702
H 4.175766 1.733738 1.088690
H 2.828607 -2.079919 -0.415539
H 6.469070 0.813904 1.355238
H 5.124485 -2.992245 -0.148033
H 6.945579 -1.548089 0.737833


%chk=000224621-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000224621

0 1
S -3.433855 1.528842 -2.752520
O -5.241529 -1.697125 1.035099
N -3.435558 -0.048906 -0.520083
C -3.079623 -0.479624 0.856085
C -4.342498 -1.017959 -1.186253
C -4.364219 -0.712511 1.681384
C -5.596822 -1.238826 -0.321871
C -2.989410 1.091860 -1.143888
C -2.026202 1.998221 -0.369192
C -0.619717 1.417517 -0.187856
C 0.069901 1.560044 1.042023
C 0.044942 0.763790 -1.256530
C 2.051354 0.405137 0.137252
C 1.380579 1.064426 1.202856
C 1.354095 0.268590 -1.095470
C 3.435825 -0.123706 0.304946
C 4.373351 0.530941 1.151556
C 3.857714 -1.298423 -0.377795
C 5.682817 0.029673 1.311052
C 5.167463 -1.799826 -0.221357
C 6.087924 -1.138890 0.624898
H -2.435212 0.261890 1.347522
H -2.511023 -1.428256 0.788354
H -3.799575 -1.975116 -1.314280
H -4.603362 -0.613583 -2.179773
H -4.117883 -1.136371 2.668875
H -4.905636 0.249696 1.815427
H -6.182192 -0.296689 -0.260157
H -6.227241 -2.036733 -0.745850
H -1.964288 2.932967 -0.951528
H -2.448466 2.269025 0.619169
H -0.422248 2.063554 1.884527
H -0.465617 0.660732 -2.221285
H 1.876285 1.162969 2.175276
H 1.855744 -0.201147 -1.949135
H 4.085521 1.456700 1.662902
H 3.146706 -1.839242 -1.012677
H 6.390170 0.556317 1.961602
H 5.466931 -2.710741 -0.751885
H 7.104855 -1.527719 0.747181


