%chk=000269103.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000269103

0 1
S 4.908775 -0.664375 -0.095781
O 4.707535 -1.976315 -0.689106
O 5.908499 0.229174 -0.657866
O -5.371721 1.175171 0.120145
N -4.569039 -0.985845 -0.013008
C -0.467173 2.016663 0.037971
C 0.987690 0.093285 -0.037708
C 0.960193 1.525697 0.004594
C -1.270008 0.735813 0.009184
C -0.394741 -0.393557 -0.038988
C 2.196684 -0.583103 -0.073783
C 3.384939 0.168113 -0.055044
C 2.134997 2.258651 0.002644
C -2.642815 0.584037 0.021394
C -0.915804 -1.679299 -0.080977
C 3.356338 1.560789 -0.035014
C -3.162058 -0.730443 -0.019189
C -2.306548 -1.849851 -0.070247
C 5.302064 -0.902653 1.601118
C -5.598494 -0.014636 0.053530
C -6.981148 -0.604259 0.034606
H -0.702484 2.667430 -0.827998
H -0.681421 2.618215 0.943039
H 2.229442 -1.674956 -0.132098
H 2.124285 3.345672 0.019867
H -3.312196 1.449489 0.059728
H -0.259783 -2.547633 -0.124517
H 4.293287 2.129325 -0.061282
H -2.713122 -2.857359 -0.104134
H 4.522143 -0.578645 2.297944
H 5.494752 -1.960197 1.836447
H 6.216225 -0.366309 1.895519
H -4.836697 -1.971415 -0.064691
H -7.190047 -1.162848 -0.887617
H -7.730555 0.204750 0.091566
H -7.169895 -1.269779 0.887353


%chk=000269103-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000269103

0 1
S 5.008520 -0.773216 -0.071004
O 4.694051 -2.292115 -0.598139
O 6.117314 0.194556 -0.787908
O -5.533266 1.240142 0.003300
N -4.636610 -0.931279 0.003057
C -0.470034 2.058044 -0.034591
C 0.964687 0.112631 -0.013588
C 0.964112 1.544899 -0.034202
C -1.294868 0.776372 -0.015451
C -0.429262 -0.358484 -0.005422
C 2.182589 -0.603779 -0.011332
C 3.358857 0.162401 -0.027796
C 2.168249 2.269649 -0.071314
C -2.690679 0.638681 -0.011209
C -0.974497 -1.661549 0.004951
C 3.400347 1.567287 -0.072887
C -3.235433 -0.676815 0.000677
C -2.373423 -1.812936 0.007964
C 5.523709 -0.926336 1.768771
C -5.693896 -0.016094 0.002347
C -7.084143 -0.648047 -0.001014
H -0.686385 2.674124 -0.929025
H -0.680165 2.698272 0.844322
H 2.234921 -1.697767 -0.032910
H 2.165372 3.364356 -0.107917
H -3.365425 1.496644 -0.018603
H -0.329772 -2.546864 0.006780
H 4.361626 2.086935 -0.143777
H -2.808548 -2.820619 0.014089
H 4.733133 -1.494111 2.277929
H 6.478696 -1.469735 1.747587
H 5.635062 0.095106 2.157361
H -4.899104 -1.919339 0.003445
H -7.631647 -0.302304 -0.894791
H -7.642003 -0.287958 0.880467
H -7.079986 -1.751955 0.007433


