%chk=000288771.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000288771

0 1
S -2.025543 -1.652730 -0.293752
O -0.941773 -0.309720 -0.023128
O -1.925645 -2.541435 0.829708
O -1.836612 -2.114038 -1.639957
N 0.338605 -0.836835 -0.038048
C 3.550195 1.979187 -0.069751
C 2.093308 2.310009 -0.480232
C 3.764588 0.468954 0.040170
C 1.071872 1.520562 0.335496
C 2.691861 -0.440940 0.148679
C 4.483909 2.576874 -1.141018
C 3.867259 2.603056 1.303221
C 1.288246 0.042554 0.139482
C 5.077425 -0.029233 0.074674
C 2.952974 -1.818275 0.276484
C 5.328550 -1.396108 0.199595
C 4.262900 -2.295320 0.299619
C -3.447590 -0.693609 -0.179586
C -3.989145 -0.102128 -1.327488
C -4.071627 -0.508333 1.060201
C -5.770027 0.866593 0.005597
C -5.143663 0.674342 -1.238920
C -5.226395 0.266909 1.155822
C -7.013050 1.684912 0.102083
H 1.952052 2.087760 -1.557595
H 1.908673 3.394518 -0.369713
H 0.038032 1.804468 0.041529
H 1.151652 1.760412 1.416722
H 4.370414 2.061090 -2.101508
H 4.274708 3.638757 -1.305813
H 5.538087 2.498986 -0.853438
H 4.900897 2.404192 1.606444
H 3.731470 3.688734 1.290945
H 3.218144 2.194184 2.085919
H 5.917779 0.660961 0.002618
H 2.120103 -2.523752 0.357436
H 6.354072 -1.761324 0.220285
H 4.451971 -3.362791 0.396013
H -3.509092 -0.254941 -2.301608
H -3.656311 -0.979708 1.959049
H -5.561002 1.129243 -2.135421
H -5.708102 0.404966 2.122117
H -7.116448 2.182588 1.076637
H -7.062498 2.470599 -0.664929
H -7.905425 1.051910 -0.030241


%chk=000288771-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000288771

0 1
S -2.109754 -1.778223 0.352013
O -0.831432 -0.296433 0.122515
O -1.991168 -2.341681 1.863779
O -1.995708 -2.768979 -0.921640
N 0.480272 -0.879807 0.076297
C 3.635861 1.997278 0.072869
C 2.315408 2.347236 -0.674297
C 3.908548 0.488907 -0.102163
C 1.108192 1.523480 -0.192101
C 2.821237 -0.440941 -0.160681
C 4.767454 2.877008 -0.519455
C 3.504091 2.310855 1.595192
C 1.418247 0.041264 -0.091818
C 5.229459 -0.022191 -0.156233
C 3.085950 -1.835371 -0.277267
C 5.484779 -1.405350 -0.265662
C 4.404782 -2.318341 -0.326414
C -3.621331 -0.685484 0.190935
C -4.170605 -0.498996 -1.087712
C -4.149163 -0.109608 1.357717
C -5.901019 0.917967 -0.044327
C -5.322152 0.310896 -1.190956
C -5.300011 0.696689 1.223874
C -7.156699 1.760389 -0.167000
H 2.470701 2.172929 -1.757566
H 2.098029 3.425473 -0.546455
H 0.240956 1.659765 -0.866713
H 0.760624 1.874466 0.800388
H 4.958848 2.628372 -1.579495
H 4.476630 3.942705 -0.463645
H 5.715631 2.769700 0.037269
H 4.454541 2.094020 2.115546
H 3.261195 3.379720 1.750081
H 2.718383 1.701719 2.075559
H 6.076558 0.669472 -0.115475
H 2.236419 -2.523236 -0.326346
H 6.517901 -1.768562 -0.307261
H 4.592368 -3.393863 -0.415310
H -3.723792 -0.980164 -1.963360
H -3.686465 -0.296713 2.331746
H -5.775150 0.473863 -2.175337
H -5.735548 1.159913 2.116370
H -7.192439 2.551276 0.601950
H -7.229836 2.239799 -1.158271
H -8.060997 1.134884 -0.036742


